CT6

(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE

Created:	2005-11-08
Last modified:	2022-02-18

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1 entries where CT6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	22

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Chemical Component Summary
Name	(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE
Systematic Name (OpenEye OEToolkits)	5-(3-bromophenyl)-~{N}-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
Formula	C₁₈ H₁₄ Br N₅
Molecular Weight	380.241
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Brc4cccc(c1nc3[n+](c(c1)NCc2ccncc2)ncc3)c4
SMILES	CACTVS	3.385	Brc1cccc(c1)c2cc(NCc3ccncc3)n4nccc4n2
SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(cc(c1)Br)c2cc(n3c(n2)ccn3)NCc4ccncc4
Canonical SMILES	CACTVS	3.385	Brc1cccc(c1)c2cc(NCc3ccncc3)n4nccc4n2
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(cc(c1)Br)c2cc(n3c(n2)ccn3)NCc4ccncc4
InChI	InChI	1.03	InChI=1S/C18H14BrN5/c19-15-3-1-2-14(10-15)16-11-18(24-17(23-16)6-9-22-24)21-12-13-4-7-20-8-5-13/h1-11H,12H2,(H,21,22,23)/p+1
InChIKey	InChI	1.03	WSIQKQLAGWVKSL-UHFFFAOYSA-O

Drug Info: DrugBank

DrugBank ID	DB07595
Name	(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE
Groups	experimental
Synonyms	(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE

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