GVP

4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE

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

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2 entries where GVP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	0

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Chemical Component Summary
Name	4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE
Systematic Name (OpenEye OEToolkits)	4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
Formula	C₂₀ H₂₀ Cl N₃
Molecular Weight	337.846
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1ccc(cc1)C4(c3ccc(c2cnnc2)cc3)CCNCC4
SMILES	CACTVS	3.341	Clc1ccc(cc1)C2(CCNCC2)c3ccc(cc3)c4c[nH]nc4
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1c2c[nH]nc2)C3(CCNCC3)c4ccc(cc4)Cl
Canonical SMILES	CACTVS	3.341	Clc1ccc(cc1)C2(CCNCC2)c3ccc(cc3)c4c[nH]nc4
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1c2c[nH]nc2)C3(CCNCC3)c4ccc(cc4)Cl
InChI	InChI	1.03	InChI=1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24)
InChIKey	InChI	1.03	LZMOSYUFVYJEPY-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07859
Name	4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE
Groups	experimental
Synonyms	4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE

Drug Targets

Name	Target Sequence	Pharmacological Action
cAMP-dependent protein kinase catalytic subunit alpha	MGNAAAAKKGSEQESVKEFLAKAKEDFLKKWESPAQNTAHLDQFERIKTL...	unknown
cAMP-dependent protein kinase inhibitor alpha	MTDVETTYADFIASGRTGRRNAIHDILVSSASGNSNELALKLAGLDINKT...	unknown
RAC-beta serine/threonine-protein kinase	MNEVSVIKEGWLHKRGEYIKTWRPRYFLLKSDGSFIGYKERPEAPDQTLP...	unknown
Glycogen synthase kinase-3 beta	MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDR...	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