GV0

golvatinib

Created: 2016-02-21
Last modified:  2016-11-09

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Chemical Details

Formal Charge0
Atom Count83
Chiral Atom Count0
Bond Count88
Aromatic Bond Count18
2D diagram of GV0
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Chemical Component Summary

Namegolvatinib
Systematic Name (OpenEye OEToolkits)~{N}1'-[2-fluoranyl-4-[2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonylamino]pyridin-4-yl]oxy-phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
FormulaC33 H37 F2 N7 O4
Molecular Weight633.688
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01C1CN(C)CCN1C2CCN(CC2)C(Nc3nccc(c3)Oc4ccc(c(c4)F)NC(C5(CC5)C(Nc6ccc(cc6)F)=O)=O)=O
SMILESCACTVS3.385CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(Oc4ccc(NC(=O)C5(CC5)C(=O)Nc6ccc(F)cc6)c(F)c4)ccn3
SMILESOpenEye OEToolkits2.0.4CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(ccn3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F
Canonical SMILESCACTVS3.385 CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(Oc4ccc(NC(=O)C5(CC5)C(=O)Nc6ccc(F)cc6)c(F)c4)ccn3
Canonical SMILESOpenEye OEToolkits2.0.4 CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(ccn3)Oc4ccc(c(c4)F)NC(=O)C5(CC5)C(=O)Nc6ccc(cc6)F
InChIInChI1.03 InChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45)
InChIKeyInChI1.03 UQRCJCNVNUFYDX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB11977 
NameGolvatinib
Groups investigational
DescriptionGolvatinib has been investigated for the treatment of Platinum-Resistant Squamous Cell Carcinoma of the Head and Neck.
Synonyms
  • Golvatinib Tartrate
  • Golvatinib
Categories
  • Amines
  • Pyridines
  • Vascular Endothelial Growth Factor Receptor-2, antagonists & inhibitors
CAS number928037-13-2

Related Resource References

Resource NameReference
Pharos CHEMBL3039525
PubChem 16118392
ChEMBL CHEMBL3039525