A46

5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-1H-indole-2-carboxamide

Created:	2007-10-18
Last modified:	2011-06-04

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1 entries where A46 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	16

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Chemical Component Summary
Name	5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-1H-indole-2-carboxamide
Systematic Name (OpenEye OEToolkits)	5-chloro-N-[4-[(1R)-1,2-dihydroxyethyl]phenyl]-1H-indole-2-carboxamide
Formula	C₁₇ H₁₅ Cl N₂ O₃
Molecular Weight	330.766
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1cc2c(cc1)nc(c2)C(=O)Nc3ccc(cc3)C(O)CO
SMILES	CACTVS	3.341	OC[CH](O)c1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2)cc1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C(CO)O)NC(=O)c2cc3cc(ccc3[nH]2)Cl
Canonical SMILES	CACTVS	3.341	OC[C@H](O)c1ccc(NC(=O)c2[nH]c3ccc(Cl)cc3c2)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1[C@H](CO)O)NC(=O)c2cc3cc(ccc3[nH]2)Cl
InChI	InChI	1.03	InChI=1S/C17H15ClN2O3/c18-12-3-6-14-11(7-12)8-15(20-14)17(23)19-13-4-1-10(2-5-13)16(22)9-21/h1-8,16,20-22H,9H2,(H,19,23)/t16-/m0/s1
InChIKey	InChI	1.03	SHCHFGSUYJUEBR-INIZCTEOSA-N

Drug Info: DrugBank

DrugBank ID	DB07315
Name	5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-1H-indole-2-carboxamide
Groups	experimental
Synonyms	5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-1H-indole-2-carboxamide

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Glycogen phosphorylase, liver form	-	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682