LCJ

5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide

Created:	2019-02-19
Last modified:	2019-10-09

Find Related PDB Entry
6 entries where LCJ is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	16

2D diagram of LCJ

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
Systematic Name (OpenEye OEToolkits)	5-[(2-fluoranyl-4-iodanyl-phenyl)amino]-~{N}-(2-hydroxyethyloxy)imidazo[1,5-a]pyridine-6-carboxamide
Formula	C₁₆ H₁₄ F I N₄ O₃
Molecular Weight	456.21
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(c(C(=O)NOCCO)ccc2n1cnc2)Nc3c(F)cc(cc3)I
SMILES	CACTVS	3.385	OCCONC(=O)c1ccc2cncn2c1Nc3ccc(I)cc3F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1I)F)Nc2c(ccc3n2cnc3)C(=O)NOCCO
Canonical SMILES	CACTVS	3.385	OCCONC(=O)c1ccc2cncn2c1Nc3ccc(I)cc3F
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1I)F)Nc2c(ccc3n2cnc3)C(=O)NOCCO
InChI	InChI	1.03	InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)
InChIKey	InChI	1.03	RFWVETIZUQEJEF-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB11982
Name	GDC-0623
Groups	investigational
Description	GDC-0623 has been used in trials studying the treatment of Solid Cancers.
Synonyms	GDC-0623
Categories	Nicotinic Acids Pyridines
CAS number	1168091-68-6

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3330650
PubChem	42642654
ChEMBL	CHEMBL3330650

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.