EES

3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL

Created:	2007-07-11
Last modified:	2011-06-04

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1 entries where EES is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	17

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Chemical Component Summary
Name	3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL
Systematic Name (OpenEye OEToolkits)	3-chloro-2-(4-hydroxyphenyl)indazol-5-ol
Formula	C₁₃ H₉ Cl N₂ O₂
Molecular Weight	260.676
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1c3cc(O)ccc3nn1c2ccc(O)cc2
SMILES	CACTVS	3.341	Oc1ccc(cc1)n2nc3ccc(O)cc3c2Cl
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1n2c(c3cc(ccc3n2)O)Cl)O
Canonical SMILES	CACTVS	3.341	Oc1ccc(cc1)n2nc3ccc(O)cc3c2Cl
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1n2c(c3cc(ccc3n2)O)Cl)O
InChI	InChI	1.03	InChI=1S/C13H9ClN2O2/c14-13-11-7-10(18)5-6-12(11)15-16(13)8-1-3-9(17)4-2-8/h1-7,17-18H
InChIKey	InChI	1.03	ZNHQDSBJVFFIAK-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07708
Name	3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL
Groups	experimental
Synonyms	3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Estrogen receptor alpha	MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPA...	unknown
Nuclear receptor coactivator 2	MSGMGENTSDPSRAETRKRKECPDQLGPSPKRNTEKRNREQENKYIEELA...	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