2SC

(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol

Created:	2007-09-20
Last modified:	2011-06-04

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1 entries where 2SC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	23

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Chemical Component Summary
Name	(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
Systematic Name (OpenEye OEToolkits)	[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methanol
Formula	C₁₉ H₁₇ N₅ O
Molecular Weight	331.371
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(cc(n2ncc(c12)CO)NCc3cccnc3)c4ccccc4
SMILES	CACTVS	3.341	OCc1cnn2c(NCc3cccnc3)cc(nc12)c4ccccc4
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2cc(n3c(n2)c(cn3)CO)NCc4cccnc4
Canonical SMILES	CACTVS	3.341	OCc1cnn2c(NCc3cccnc3)cc(nc12)c4ccccc4
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2cc(n3c(n2)c(cn3)CO)NCc4cccnc4
InChI	InChI	1.03	InChI=1S/C19H17N5O/c25-13-16-12-22-24-18(21-11-14-5-4-8-20-10-14)9-17(23-19(16)24)15-6-2-1-3-7-15/h1-10,12,21,25H,11,13H2
InChIKey	InChI	1.03	RBLKWWBHDUBPFN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB06983
Name	(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
Groups	experimental
Synonyms	(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
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