ORANTINIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 9RL37ZZ665

Structure

InChI Key NHFDRBXTEDBWCZ-ZROIWOOFSA-N
Smiles Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(C)c1CCC(=O)O
InChI
InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H18N2O3
Molecular Weight 310.35
AlogP 3.14
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 82.19
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Fibroblast growth factor receptor inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- 35-210 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 50-300 - - 76.7
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 28-680 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 35-210 - - 76.7
Mus musculus
- 300 - - -

Target Conservation

Protein: Platelet-derived growth factor receptor
Description: Platelet-derived growth factor receptor beta
Organism : Homo sapiens
P09619 ENSG00000113721
Protein: Fibroblast growth factor receptor
Description: Fibroblast growth factor receptor 1
Organism : Homo sapiens
P11362 ENSG00000077782
Protein: Platelet-derived growth factor receptor
Description: Platelet-derived growth factor receptor alpha
Organism : Homo sapiens
P16234 ENSG00000134853
Protein: Fibroblast growth factor receptor
Description: Fibroblast growth factor receptor 2
Organism : Homo sapiens
P21802 ENSG00000066468
Protein: Fibroblast growth factor receptor
Description: Fibroblast growth factor receptor 4
Organism : Homo sapiens
P22455 ENSG00000160867
Protein: Fibroblast growth factor receptor
Description: Fibroblast growth factor receptor 3
Organism : Homo sapiens
P22607 ENSG00000068078
Protein: Vascular endothelial growth factor receptor 2
Description: Vascular endothelial growth factor receptor 2
Organism : Homo sapiens
P35968 ENSG00000128052

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL274654
DrugBank DB12072
FDA SRS 9RL37ZZ665
Guide to Pharmacology 7816
PDB SU6
PubChem 5329099
SureChEMBL SCHEMBL134661
ZINC ZINC000003834032
CONTENTS