EI1

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

Created:	2007-06-28
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where EI1 is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	17

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL
Systematic Name (OpenEye OEToolkits)	3-ethyl-2-(4-hydroxyphenyl)indazol-5-ol
Formula	C₁₅ H₁₄ N₂ O₂
Molecular Weight	254.284
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Oc3ccc(n2nc1ccc(O)cc1c2CC)cc3
SMILES	CACTVS	3.341	CCc1n(nc2ccc(O)cc12)c3ccc(O)cc3
SMILES	OpenEye OEToolkits	1.5.0	CCc1c2cc(ccc2nn1c3ccc(cc3)O)O
Canonical SMILES	CACTVS	3.341	CCc1n(nc2ccc(O)cc12)c3ccc(O)cc3
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCc1c2cc(ccc2nn1c3ccc(cc3)O)O
InChI	InChI	1.03	InChI=1S/C15H14N2O2/c1-2-15-13-9-12(19)7-8-14(13)16-17(15)10-3-5-11(18)6-4-10/h3-9,18-19H,2H2,1H3
InChIKey	InChI	1.03	XBMVVMYGKMGLJX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07712
Name	3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL
Groups	experimental
Synonyms	3-ETHYL-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