SUNITINIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC L01EX01
UNII V99T50803M
EPA CompTox DTXSID1041134

Structure

InChI Key WINHZLLDWRZWRT-ATVHPVEESA-N
Smiles CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C
InChI
InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H27FN4O2
Molecular Weight 398.48
AlogP 3.33
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 77.23
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase DMPK family AGC protein kinase ROCK subfamily
- - 140-460 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase GRK family AGC protein kinase GRK subfamily
- 830 140-290 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase MAST family
- - 200-200 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase NDR family
- - 410-970 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKN family
- - 710-710 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase MSK subfamily
- - 17-250 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase RSK subfamily
- 131.3-183.9 17-580 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase p70 subfamily
- - 48-200 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase SGK family
- - 220 - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase RIO family Atypical protein kinase RIO1 subfamily
- - 35-35 - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase RIO family Atypical protein kinase RIO2 subfamily
- - 49-49 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase AMPK subfamily
- 61.7-158 19-89 - 46-50
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase CHK1 subfamily
- 77.27 300-300 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase LKB subfamily
- - 38-38 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase MARK subfamily
- - 310-640 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase MELK subfamily
- - 350-350 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase NIM1 subfamily
- - 850-850 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase NuaK subfamily
- - 48-150 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase QIK subfamily
- - 580-580 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family
- 61.7-158 440-990 - 46-50
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK2 family
- - 80-760 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase DAPK family
- - 1-470 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase DCAMK1 family
- - 110-370 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MLCK family
- - 15-280 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PHk family
- - 5.5-70 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PKD family
- - 280-380 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RAD53 family
- 16.84 7.1-10 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase MSKb subfamily
- - 17-250 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase RSKb subfamily
- 131.3-183.9 17-580 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase unique family
- - 17-17 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group
- 131.3-183.9 1-470 - 46-50
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family CK1 protein kinase CK1-a
- - 550-550 - -
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family CK1 protein kinase CK1-g
- - 240-240 - -
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family
- - 13-930 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK7 subfamily
- - 330-330 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase PFTAIRE
- - 270-270 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase TAIRE subfamily
- - 130-150 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CLK family
- - 20-190 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk1 subfamily
- - 200-200 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase Dyrk2 subfamily
- - 680-680 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase HIPK subfamily
- - 31-160 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase RCK family CMGC protein kinase MAK
- - 470-470 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase SRPK family
- - 59-250 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- - 20-190 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- - 220-380 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CAMKK family Other protein kinase Meta subfamily
- - 420-900 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- - 81-900 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase IKK family
- - 120-120 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- 47.4 5.5-360 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NEK family
- - 500-500 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NKF1 family
- - 200 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PEK family Other protein kinase GCN2 subfamily
- - 180-180 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PEK family Other protein kinase PKR
- - 670-670 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family
- - 190-380 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase TLK family
- - 330-740 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase TTK family
- - 63-230 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase ULK family
- - 13-110 - -
Enzyme Kinase Protein Kinase Other protein kinase group
- 47.4 5.5-360 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family STE protein kinase MEKK2
- - 57-220 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family
- - 57-220 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase FRAY subfamily
- - 140-530 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase KHS subfamily
- - 16-180 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MSN subfamily
- - 25-140 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MST subfamily
- - 19-160 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase PAKA subfamily
- - 16-16 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase PAKB subfamily
- 569.2 640-640 500-500 -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase SLK subfamily
- - 19-640 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase TAO subfamily
- - 210-890 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase YSK subfamily
- - 63-340 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- - 46-700 - -
Enzyme Kinase Protein Kinase STE protein kinase group
- 569.2 16-180 500-500 -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- 410-504 55-950 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ack family
- - 680-680 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Axl family
- 9-9 9-49 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 31.8-172.1 860 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Eph family
- - 480-960 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- 170 290-570 - 61.8
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Fak family
- - 82-610 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Fer family
- - 960-960 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase InsR family
- - 180-500 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- - 9-940 - 98.1
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- - 9-940 - 98.1
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Musk family
- - 490-490 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 0.7-616.8 0.075-380 4-8 5-100
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- 220-224 5.8-19 - 76.7-97
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 8.9-555 65-880 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tec family
- - 13-13 - 91.3
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family
- - 100-590 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 1-461 0.2-50 2-17 66-102.3
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase IRAK family
- - 14-940 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase LRRK family
- 15-28 76-110 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase LZK subfamily
- - 95-95 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase TAK1 subfamily
- - 93-93 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RIPK family
- - 310-370 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 1 subfamily
- 54.64 170-170 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 2 subfamily
- - 570-570 - -
Enzyme Kinase Protein Kinase
- 0.7-616.8 0.075-380 2-17 5-100
Enzyme Kinase
- 0.7-616.8 0.075-380 2-17 5-100
Enzyme Protease Aspartic protease Aspartic protease AD clan Aspartic protease A22A subfamily Aspartic protease A22A regulatory subfamily
- - - - 26-53
Enzyme
- 0.7-616.8 0.075-380 2-17 5-100
Epigenetic regulator Eraser Histone deacetylase HDAC class III
- - - - 26.4
Ion channel Other ion channel Miscellaneous ion channel Presenilin ER Ca2+ leak channel family
- - - - 26-53
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 251.19-500 - - -
Membrane receptor
- - 850 - -
Unclassified protein
- - 100 6.3 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Dengue virus 2
510 - - - -
Gallus gallus
- 1.3-555 - - -
Homo sapiens
14.3-960 0.7-830 0.075-990 2-500 5-102.3
Mus musculus
- 8-220 110-160 - 0-78

Related Entries

Cross References

Resources Reference
CAS NUMBER 557795-19-4
ChEBI 38940
ChEMBL CHEMBL535
DrugBank DB01268
DrugCentral 2544
FDA SRS V99T50803M
Human Metabolome Database HMDB0015397
Guide to Pharmacology 5713
PDB B49
PharmGKB PA162372840
PubChem 5329102
SureChEMBL SCHEMBL8081
ZINC ZINC000003964325
CONTENTS