8PC

2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL

Created:	2007-04-25
Last modified:	2011-06-04

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2 entries where 8PC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	18

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Chemical Component Summary
Name	2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL
Systematic Name (OpenEye OEToolkits)	2-(2,4-dichlorophenoxy)-5-(pyridin-2-ylmethyl)phenol
Formula	C₁₈ H₁₃ Cl₂ N O₂
Molecular Weight	346.207
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc3ccc(Oc1ccc(cc1O)Cc2ncccc2)c(Cl)c3
SMILES	CACTVS	3.341	Oc1cc(Cc2ccccn2)ccc1Oc3ccc(Cl)cc3Cl
SMILES	OpenEye OEToolkits	1.5.0	c1ccnc(c1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
Canonical SMILES	CACTVS	3.341	Oc1cc(Cc2ccccn2)ccc1Oc3ccc(Cl)cc3Cl
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccnc(c1)Cc2ccc(c(c2)O)Oc3ccc(cc3Cl)Cl
InChI	InChI	1.03	InChI=1S/C18H13Cl2NO2/c19-13-5-7-17(15(20)11-13)23-18-6-4-12(10-16(18)22)9-14-3-1-2-8-21-14/h1-8,10-11,22H,9H2
InChIKey	InChI	1.03	AOVDSWPGWPRTSR-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07287
Name	2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL
Groups	experimental
Synonyms	2-(2,4-DICHLOROPHENOXY)-5-(PYRIDIN-2-YLMETHYL)PHENOL

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Enoyl-[acyl-carrier-protein] reductase [NADH]	MTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRI...	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