K10

1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE

Created:	2005-11-15
Last modified:	2011-06-04

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1 entries where K10 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	16

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Chemical Component Summary
Name	1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE
Systematic Name (OpenEye OEToolkits)	1-tert-butyl-3-[(2,5-dimethylphenyl)methyl]pyrazolo[4,5-e]pyrimidin-4-amine
Formula	C₁₈ H₂₃ N₅
Molecular Weight	309.409
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(c2c(nc1)n(nc2Cc3cc(ccc3C)C)C(C)(C)C)N
SMILES	CACTVS	3.341	Cc1ccc(C)c(Cc2nn(c3ncnc(N)c23)C(C)(C)C)c1
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(c(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N)C
Canonical SMILES	CACTVS	3.341	Cc1ccc(C)c(Cc2nn(c3ncnc(N)c23)C(C)(C)C)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(c(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N)C
InChI	InChI	1.03	InChI=1S/C18H23N5/c1-11-6-7-12(2)13(8-11)9-14-15-16(19)20-10-21-17(15)23(22-14)18(3,4)5/h6-8,10H,9H2,1-5H3,(H2,19,20,21)
InChIKey	InChI	1.03	QUPXEJURIFFVSX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08035
Name	1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE
Groups	experimental
Synonyms	1-TERT-BUTYL-3-(2,5-DIMETHYLBENZYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Androgen receptor	MEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREVIQNPGPRHPEAASAAPP...	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