DOVITINIB

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Synonyms
Status
Molecule Category Free-form
UNII I35H55G906
EPA CompTox DTXSID901025925

Structure

InChI Key PIQCTGMSNWUMAF-UHFFFAOYSA-N
Smiles CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1
InChI
InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H21FN6O
Molecular Weight 392.44
AlogP 2.54
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 94.04
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 29.0

Pharmacology

Mechanism of Action Action Reference
Fibroblast growth factor receptor 3 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
- - - - 4
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase DMPK family AGC protein kinase ROCK subfamily
- - 760 - 23
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase GRK family AGC protein kinase GRK subfamily
- - 97 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase MAST family
- - 40 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase NDR family
- - 530-660 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PKN family
- - 180-180 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase MSK subfamily
- - 590-680 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase RSK subfamily
- - 310-450 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase RSK family AGC protein kinase p70 subfamily
- - 570 - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase SGK family
- - 960 - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase RIO family Atypical protein kinase RIO1 subfamily
- - 420-420 - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase RIO family Atypical protein kinase RIO2 subfamily
- - 260 - -
Enzyme Kinase Protein Kinase Atypical protein kinase group Atypical protein kinase RIO family Atypical protein kinase RIO3 subfamily
- - 690-690 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase AMPK subfamily
- - 520-820 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase CHK1 subfamily
- - - - 67
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase MARK subfamily
- - - - 57
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase MELK subfamily
- - - - 70
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase NIM1 subfamily
- - 850 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase NuaK subfamily
- - 130-240 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase DAPK family
- - 830-830 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase MLCK family
- - 2-92 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase PHk family
- - 640-640 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RAD53 family
- - - - 25
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase MSKb subfamily
- - 590-680 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase RSKb family CAMK protein kinase RSKb subfamily
- - 310-450 - -
Enzyme Kinase Protein Kinase CAMK protein kinase group
- - 2-92 - 25
Enzyme Kinase Protein Kinase CK1 protein kinase group CK1 protein kinase CK1 family CK1 protein kinase CK1-a
- - - - 10
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK7 subfamily
- - - - 85
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase TAIRE subfamily
- - 430-430 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDKL family
- - 180 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase DYRK family CMGC protein kinase HIPK subfamily
- - 500 - 22
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- - 350-350 - 20
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase ERK subfamily
- - - - 22-54
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase JNK subfamily
- - - - 33
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase MAPK family CMGC protein kinase p38 subfamily
- - - - 1
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase SRPK family
- - 250-420 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- - 250-420 - 22-54
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- - 280-280 - 38
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase CK2 family
- - 200 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase IKK family
- - 130 - 64
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase NAK family
- - 54-490 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PEK family Other protein kinase GCN2 subfamily
- - 250-250 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family Other protein kinase PLK2
- - 570 - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase ULK family
- - 54-170 - -
Enzyme Kinase Protein Kinase Other protein kinase group
- - 54-490 - 38
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family STE protein kinase MEKK2
- - 71 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE11 family
- - 12 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase FRAY subfamily
- - 530 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase KHS subfamily
- - 44-620 - 94
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MSN subfamily
- 2-61 9.1-160 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase MST subfamily
- - 200-480 - 82
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase PAKA subfamily
- - 770 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase SLK subfamily
- - 300-550 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE20 family STE protein kinase YSK subfamily
- - 430-540 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase STE7 family
- - 32-520 - -
Enzyme Kinase Protein Kinase STE protein kinase group STE protein kinase unique family
- - - - 2
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Abl family
- 228-450 31-910 - 32
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Axl family
- - - - 67
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase DDR family
- - - - 38
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- - 940 - 7-37
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
166 3-11 150-410 - 72-75
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- - 130-410 - 54
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- - 130-410 - 54
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Met family
- - - - 14
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Musk family
- - 830-830 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
51 1-48.3 0.64-170 - 9-99
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Ret family
- - 26-71 - 88
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 1.4-80.8 190-750 - 69-79
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tec family
- - 530-530 - 92
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Trk family
- - 100-720 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
46 2.512-65 68-580 - 88
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase IRAK family
- - 130-170 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase LRRK family
- - 880 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase LZK subfamily
- - 170 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase TAK1 subfamily
- - 630 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase RIPK family
- - 79-320 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase STKR family TKL protein kinase STKR Type 1 subfamily
- - - - 55
Enzyme Kinase Protein Kinase
166 1-48.3 0.64-170 - 9-99
Enzyme Kinase
166 1-48.3 0.64-170 - 9-99
Membrane receptor
- - 220 - -
Other cytosolic protein
- - - - 85
Unclassified protein
- - - - 85
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Gallus gallus
- 80.8 - - -
Homo sapiens
13 1-794.7 0.64-910 - 1-99

Target Conservation

Protein: Platelet-derived growth factor receptor
Description: Platelet-derived growth factor receptor beta
Organism : Homo sapiens
P09619 ENSG00000113721
Protein: Stem cell growth factor receptor
Description: Mast/stem cell growth factor receptor Kit
Organism : Homo sapiens
P10721 ENSG00000157404
Protein: Platelet-derived growth factor receptor
Description: Platelet-derived growth factor receptor alpha
Organism : Homo sapiens
P16234 ENSG00000134853
Protein: Vascular endothelial growth factor receptor
Description: Vascular endothelial growth factor receptor 1
Organism : Homo sapiens
P17948 ENSG00000102755
Protein: Fibroblast growth factor receptor 3
Description: Fibroblast growth factor receptor 3
Organism : Homo sapiens
P22607 ENSG00000068078
Protein: Vascular endothelial growth factor receptor
Description: Vascular endothelial growth factor receptor 3
Organism : Homo sapiens
P35916 ENSG00000037280
Protein: Vascular endothelial growth factor receptor
Description: Vascular endothelial growth factor receptor 2
Organism : Homo sapiens
P35968 ENSG00000128052
Protein: Tyrosine-protein kinase receptor FLT3
Description: Receptor-type tyrosine-protein kinase FLT3
Organism : Homo sapiens
P36888 ENSG00000122025

Cross References

Resources Reference
CAS NUMBER 405169-16-6
ChEMBL CHEMBL522892
DrugBank DB05928
FDA SRS I35H55G906
Guide to Pharmacology 5962
PDB 38O
PubChem 135398510
SureChEMBL SCHEMBL172687
ZINC ZINC000003816310
CONTENTS