Details of the Drug

General Information of Drug (ID: DM3R8OM)

Drug Name

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

Synonyms

3-chloro-2-(4-hydroxyphenyl)-2H-indazol-5-ol; 848142-62-1; 3-chloro-2-(4-hydroxyphenyl)indazol-5-ol; CHEMBL180071; CTK2I5101; DTXSID40463812; Indazole-Cl, > ZINC13609473; AKOS030536245; DB07708; 2-(p-Hydroxyphenyl)-3-chloro-2H-indazole-5-ol; 2H-Indazol-5-ol, 3-chloro-2-(4-hydroxyphenyl)-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

260.67

Topological Polar Surface Area (xlogp)

3.5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H9ClN2O2
IUPAC Name: 3-chloro-2-(4-hydroxyphenyl)indazol-5-ol
Canonical SMILES: C1=CC(=CC=C1N2C(=C3C=C(C=CC3=N2)O)Cl)O
InChI: 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: ZNHQDSBJVFFIAK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11368987
CAS Number: 848142-62-1
DrugBank ID: DB07708
TTD ID: D01ZRX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estrogen receptor (ESR)	TTZAYWL	ESR1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
2	Modulators of vascular sex hormone receptors and their effects in estrogen-deficiency states associated with menopause. Recent Pat Cardiovasc Drug Discov. 2008 Nov;3(3):165-86.
3	Reprint of Are all estrogens the same Maturitas. 2008 Sep-Oct;61(1-2):195-201.
4	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
5	17alpha-Ethinylestradiol hinders nucleotide excision repair in zebrafish liver cells. Aquat Toxicol. 2009 Dec 13;95(4):273-8.
6	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 620).
7	Clinical pipeline report, company report or official report of Shionogi (2011).
8	Effect of selective estrogen receptor modulators on cell proliferation and estrogen receptor activities in normal human prostate stromal and epithe... Prostate Cancer Prostatic Dis. 2009;12(4):375-81.