GVN

(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE

Created:	2007-03-19
Last modified:	2011-06-04

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1 entries where GVN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	0

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Chemical Component Summary
Name	(2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE
Systematic Name (OpenEye OEToolkits)	(2R)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
Formula	C₁₇ H₁₆ Cl N₃
Molecular Weight	297.782
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1ccc(cc1)C(c3ccc(c2cnnc2)cc3)CN
SMILES	CACTVS	3.341	NC[CH](c1ccc(Cl)cc1)c2ccc(cc2)c3c[nH]nc3
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1c2c[nH]nc2)C(CN)c3ccc(cc3)Cl
Canonical SMILES	CACTVS	3.341	NC[C@@H](c1ccc(Cl)cc1)c2ccc(cc2)c3c[nH]nc3
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1c2c[nH]nc2)[C@@H](CN)c3ccc(cc3)Cl
InChI	InChI	1.03	InChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)17(9-19)13-3-1-12(2-4-13)15-10-20-21-11-15/h1-8,10-11,17H,9,19H2,(H,20,21)/t17-/m1/s1
InChIKey	InChI	1.03	HWVGILTYGZFGLR-QGZVFWFLSA-N

Drug Info: DrugBank

DrugBank ID	DB07857
Name	(2R)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
Groups	experimental
Synonyms	(2R)-2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
cAMP-dependent protein kinase catalytic subunit alpha	MGNAAAAKKGSEQESVKEFLAKAKEDFLKKWESPAQNTAHLDQFERIKTL...	unknown
cAMP-dependent protein kinase inhibitor alpha	MTDVETTYADFIASGRTGRRNAIHDILVSSASGNSNELALKLAGLDINKT...	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