292

N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-(2-NAPHTHYL)ACETAMIDE

Created:	2004-05-07
Last modified:	2020-06-05

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	16

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Chemical Component Summary
Name	N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-(2-NAPHTHYL)ACETAMIDE
Synonyms	PNU-292137 INHIBITOR
Systematic Name (OpenEye OEToolkits)	N-(5-cyclopropyl-2H-pyrazol-3-yl)-2-naphthalen-2-yl-ethanamide
Formula	C₁₈ H₁₇ N₃ O
Molecular Weight	291.347
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(Nc1cc(nn1)C2CC2)Cc4cc3ccccc3cc4
SMILES	CACTVS	3.341	O=C(Cc1ccc2ccccc2c1)Nc3[nH]nc(c3)C4CC4
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2cc(ccc2c1)CC(=O)Nc3cc(n[nH]3)C4CC4
Canonical SMILES	CACTVS	3.341	O=C(Cc1ccc2ccccc2c1)Nc3[nH]nc(c3)C4CC4
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2cc(ccc2c1)CC(=O)Nc3cc(n[nH]3)C4CC4
InChI	InChI	1.03	InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)14-7-8-14)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,11,14H,7-8,10H2,(H2,19,20,21,22)
InChIKey	InChI	1.03	RIGZCVNCFXYBEG-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB06944
Name	N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide
Groups	experimental
Description	N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide is a solid. This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. The proteins that N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide targets include cyclin-A2 and cyclin-dependent kinase 2.
Synonyms	N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cyclin-A2	MLGNSAPGPATREAGSALLALQQTALQEDQENINPEKAAPVQQPRTRAAL...	unknown
Cyclin-dependent kinase 2	MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIR...	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