HENATINIB

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Synonyms
Status
Molecule Category Free-form
UNII TE20GB753F
EPA CompTox DTXSID30154146

Structure

InChI Key MCTXSDCWFQAGFS-UEXNTNOUSA-N
Smiles Cc1c(/C=C2\C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)N(C[C@H](O)CN1CCOCC1)CCC2
InChI
InChI=1S/C25H29FN4O4/c1-15-22(12-19-18-11-16(26)4-5-20(18)28-24(19)32)27-21-3-2-6-30(25(33)23(15)21)14-17(31)13-29-7-9-34-10-8-29/h4-5,11-12,17,27,31H,2-3,6-10,13-14H2,1H3,(H,28,32)/b19-12-/t17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H29FN4O4
Molecular Weight 468.53
AlogP 2.04
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 97.9
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
Vascular endothelial growth factor receptor 2 inhibitor INHIBITOR DOI Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 8-11 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 26-27 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 11-27 - - -

Target Conservation

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 CHEMBL1277072
DrugBank DB13019
FDA SRS TE20GB753F
Guide to Pharmacology 9930
PubChem 25116064
SureChEMBL SCHEMBL13415507
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