OLP

2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE

Created:	2006-05-15
Last modified:	2011-06-04

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2 entries where OLP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	16

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Chemical Component Summary
Name	2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE
Systematic Name (OpenEye OEToolkits)	2-[[(6Z)-6-(3-chlorophenyl)imino-9-propan-2-yl-3H-purin-2-yl]amino]ethanol
Formula	C₁₆ H₁₉ Cl N₆ O
Molecular Weight	346.815
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc3cccc(/N=C2\N=C(Nc1c2ncn1C(C)C)NCCO)c3
SMILES	CACTVS	3.341	CC(C)n1cnc2c1NC(=NC2=Nc3cccc(Cl)c3)NCCO
SMILES	OpenEye OEToolkits	1.5.0	CC(C)n1cnc2c1NC(=NC2=Nc3cccc(c3)Cl)NCCO
Canonical SMILES	CACTVS	3.341	CC(C)n1cnc2c1NC(=NC2=Nc3cccc(Cl)c3)NCCO
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)n1cnc\2c1NC(=N/C2=N\c3cccc(c3)Cl)NCCO
InChI	InChI	1.03	InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)
InChIKey	InChI	1.03	XZEFMZCNXDQXOZ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08325
Name	2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol
Groups	experimental
Synonyms	2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol 2-(2-Hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine
CAS number	212779-48-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Casein kinase I isoform gamma-1	MDHPSREKDERQRTTKPMAQRSAHCSRPSGSSSSSGVLMVGPNFRVGKKI...	unknown
Tyrosine-protein kinase Mer	MGPAPLPLLLGLFLPALWRRAITEAREEAKPYPLFPGPFPGSLQTDHTPL...	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