3ZC

6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methylnaphthalene-1-carboxamide

Created:	2014-12-12
Last modified:	2015-04-15

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1 entries where 3ZC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	58
Chiral Atom Count	0
Bond Count	62
Aromatic Bond Count	22

2D diagram of 3ZC

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Chemical Component Summary
Name	6-({7-[(1-aminocyclopropyl)methoxy]-6-methoxyquinolin-4-yl}oxy)-N-methylnaphthalene-1-carboxamide
Systematic Name (OpenEye OEToolkits)	6-[7-[(1-azanylcyclopropyl)methoxy]-6-methoxy-quinolin-4-yl]oxy-N-methyl-naphthalene-1-carboxamide
Formula	C₂₆ H₂₅ N₃ O₄
Molecular Weight	443.494
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC)c5cccc4cc(Oc2c3cc(OC)c(OCC1(N)CC1)cc3ncc2)ccc45
SMILES	CACTVS	3.385	CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12
SMILES	OpenEye OEToolkits	1.7.6	CNC(=O)c1cccc2c1ccc(c2)Oc3ccnc4c3cc(c(c4)OCC5(CC5)N)OC
Canonical SMILES	CACTVS	3.385	CNC(=O)c1cccc2cc(Oc3ccnc4cc(OCC5(N)CC5)c(OC)cc34)ccc12
Canonical SMILES	OpenEye OEToolkits	1.7.6	CNC(=O)c1cccc2c1ccc(c2)Oc3ccnc4c3cc(c(c4)OCC5(CC5)N)OC
InChI	InChI	1.03	InChI=1S/C26H25N3O4/c1-28-25(30)19-5-3-4-16-12-17(6-7-18(16)19)33-22-8-11-29-21-14-24(23(31-2)13-20(21)22)32-15-26(27)9-10-26/h3-8,11-14H,9-10,15,27H2,1-2H3,(H,28,30)
InChIKey	InChI	1.03	CUDVHEFYRIWYQD-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB11845
Name	Lucitanib
Groups	investigational
Description	Lucitanib has been used in trials studying the treatment of ER+, MBC, SCLC, HER2+, and NSCLC, among others.
Synonyms	Lucitanib
Categories	Heterocyclic Compounds, Fused-Ring
CAS number	1058137-23-7

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2220486
PubChem	25031915
ChEMBL	CHEMBL2220486
ChEBI	CHEBI:65209

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.