PP1

1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE

Created:	1999-07-08
Last modified:	2011-06-04

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5 entries where PP1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	17

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Chemical Component Summary
Name	1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
Systematic Name (OpenEye OEToolkits)	1-tert-butyl-3-(4-methylphenyl)pyrazolo[4,5-e]pyrimidin-4-amine
Formula	C₁₆ H₁₉ N₅
Molecular Weight	281.356
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(c2c(nc1)n(nc2c3ccc(cc3)C)C(C)(C)C)N
SMILES	CACTVS	3.341	Cc1ccc(cc1)c2nn(c3ncnc(N)c23)C(C)(C)C
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N
Canonical SMILES	CACTVS	3.341	Cc1ccc(cc1)c2nn(c3ncnc(N)c23)C(C)(C)C
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N
InChI	InChI	1.03	InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
InChIKey	InChI	1.03	ZVPDNRVYHLRXLX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB01809
Name	1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine
Groups	experimental
Synonyms	1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo[3,4-D]Pyrimidin-4-Ylamine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Proto-oncogene tyrosine-protein kinase receptor Ret	MAKATSGAAGLRLLLLLLLPLLGKVALGLYFSRDAYWEKLYVDQAAGTPL...	unknown
Tyrosine-protein kinase HCK	MGGRSSCEDPGCPRDEERAPRMGCMKSKFLQVGGNTFSKTETSASPHCPV...	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