ABEMACICLIB

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L01EF03
UNII 60UAB198HK
EPA CompTox DTXSID20673119

Structure

InChI Key UZWDCWONPYILKI-UHFFFAOYSA-N
Smiles CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1
InChI
InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H32F2N8
Molecular Weight 506.61
AlogP 4.94
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 75.0
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 37.0

Pharmacology

Mechanism of Action Action Reference
Cyclin-dependent kinase 4 inhibitor INHIBITOR PubMed
Cyclin-dependent kinase 6 inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase AKT family
- - - - 3-6.5
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase DMPK family AGC protein kinase GEK subfamily
- - - - 31.5-76.9
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase DMPK family AGC protein kinase ROCK subfamily
- - - - 18.5-18.5
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase GRK family AGC protein kinase BARK subfamily
- - - - 0-0.5
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase GRK family AGC protein kinase GRK subfamily
- - - - 2-6
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PDK1 subfamily
- - - - 1
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKA family
- - - - 5
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC alpha subfamily
- - - - 38-77.5
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC delta subfamily
- - - - 21.5-48.5
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC eta subfamily
- - - - 22.5-35
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKC family AGC protein kinase PKC iota subfamily
- - - - 12
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKG family
- - - - 1.5
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKN family
- - - - 7
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase MSK subfamily
- - - - 32.5
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase RSK subfamily
- - - - 8-19.5
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase p70 subfamily
- - - - 5
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase SGK family
- - - - 12-64
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family Atypical protein kinase FRAP subfamily
- - - - 9.5
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase PIKK family
- - - - 14
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase alpha family
- - - - 8
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase AMPK subfamily
- - - - 13.5
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase BRSK subfamily
- - - - 18
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase CHK1 subfamily
- - - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase MARK subfamily
- - - - 6-16
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase MELK subfamily
- - - - 12.5
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase NuaK subfamily
- - - - 22.7
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase PASK subfamily
- - - - 73
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase QIK subfamily
- - - - 6
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family
- - - - 2.5-26.7
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK2 family
- - - - 88-101
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase DAPK family
- - - - 31.2-56.2
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase DCAMK1 family
- - - - 9.5
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MAPKAPK family CAMK protein kinase MAPKAPK subfamily
- - - - 5-14.5
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MAPKAPK family CAMK protein kinase MNK subfamily
- - - - 18.3-27
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MLCK family
- - - - 14.7-30.8
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PHk family
- - - - 7-62
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PIM family
- - - - 95
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PKD family
- - - - 62.5
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RAD53 family
- - - - 0.5
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase MSKb subfamily
- - - - 32.5
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase RSKb subfamily
- - - - 8-19.5
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase TSSK family
- - - - 21.5
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase unique family
- - - - 50.8
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family
- - - - -0.5-10.5
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 46-371 - 504 24.5-91.3
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK5 subfamily
- 405-405 - - 60.8
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK7 subfamily
- 300 - - 19.1
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK8 subfamily
- - - - 19-24.2
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK9 subfamily
- 34.6-101 - 57 92.5
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase PCTAIRE
- - - - 29-58
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase PFTAIRE
- - - - 56
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase TAIRE subfamily
- - - - 86.5
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CLK family
- - - - 6.5-97.7
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk1 subfamily
- - - - 92.5
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk2 subfamily
- - - - 96
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase HIPK subfamily
- - - - 30-98
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family
- - - - 30-98
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- - - - 96-99
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase ERK subfamily
- - - - 8
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase JNK subfamily
- - - - 25.5-59.1
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase nmo subfamily
- - - - 2.2
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily
- - - - -1-8
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase SRPK family
- - - - 3.5-6
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 1.7-120 - 0.6-10 -1-8
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- - - - 9.5-14.5
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CAMKK family Other protein kinase Meta subfamily
- - - - 12.6-69.4
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- - - - 31.5
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase IKK family
- - - - 43
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - - - 91.5
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NEK family
- - - - 2-42.5
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family Other protein kinase PLK2
- - - - 0.5
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family
- - - - -3.5-8.5
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase TTK family
- - - - 54.5
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase WEE family
- - - - 5.5
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase Wnk family
- - - - 2.7
Enzyme Kinase Protein Kinase Other protein kinase group
- - - - 2-42.5
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family STE protein kinase MEKK2
- - - - 2.2
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family
- - - - 4.3-11
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase KHS subfamily
- - - - 27.3
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MSN subfamily
- - - - 79.5-89.5
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MST subfamily
- - - - 1.5-13
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase PAKA subfamily
- - - - 3.5-11.4
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase PAKB subfamily
- - - - 1-1
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase SLK subfamily
- - - - 9.3
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase TAO subfamily
- - - - 56
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase YSK subfamily
- - - - -2-17
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- - - - 4.7-33.2
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- - - - 1.5
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ack family
- - - - 2.4
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Alk family
- - - - 10.5
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Axl family
- - - - 15-20.5
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Csk family
- - - - 0-4
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family
- - - - 8.7
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- - - - 1.5-46
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Eph family
- - - - -0.5-11.7
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- - - - -0.4-11
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Fak family
- - - - 15.5
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Fer family
- - - - 11
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase InsR family
- - - - 3.5-14
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- - - - 2-30
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- - - - 2-30
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- - - - 10.5-32.5
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Musk family
- - - - 24.8
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- - - - 0-41.4
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- - - - 5.5
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Sev family
- - - - 59.5
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family Tyrosine protein kinase Srm
- - - - 6
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- - - - 5-12.5
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Syk family
- - - - -0.5-6
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tec family
- - - - 0.5-6.5
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tie family
- - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family
- - - - 14-31
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- - - - 3-4.5
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase IRAK family
- - - - 9-99.8
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase LISK family TKL protein kinase LIMK subfamily
- - - - 3.7
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase LRRK family
- - - - 74.6
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase MLK subfamily
- - - - 1.9-11.5
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase TAK1 subfamily
- - - - 57.1
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RAF family
- - - - 0-4.5
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RIPK family
- - - - 1.1
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 1 subfamily
- - - - -2-10.9
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 2 subfamily
- - - - 5.4
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR1
- - - - 30.5
Enzyme Kinase Protein kinase regulatory subunit
- 65-405 - - 38-60.8
Enzyme Transferase
- - - - -6.3-4
Enzyme
- 1.7-120 - 0.6-10 5-12.5
Other cytosolic protein
- 1.8-371 - 0.6-504 19-99
Unclassified protein
- - - - 19.1-86.5
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
120-540 1.7-861 - 0.6-504 -6.3-101

Target Conservation

Protein: Cyclin-dependent kinase 4
Description: Cyclin-dependent kinase 4
Organism : Homo sapiens
P11802 ENSG00000135446
Protein: Cyclin-dependent kinase 6
Description: Cyclin-dependent kinase 6
Organism : Homo sapiens
Q00534 ENSG00000105810

Cross References

Resources Reference
CAS NUMBER 1231929-97-7
ChEMBL CHEMBL3301610
DrugBank DB12001
DrugCentral 5259
FDA SRS 60UAB198HK
Guide to Pharmacology 7382
PDB 6ZV
PharmGKB PA166153471
PubChem 46220502
SureChEMBL SCHEMBL2487229
ZINC ZINC000072318121
CONTENTS