Details of the Drug

General Information of Drug (ID: DM9AJNW)

Drug Name

3,3'-(1,3-Thiazol-2,4-diyl)diphenol

Synonyms

CHEMBL512196; SCHEMBL1180078; BDBM25836; WSUUHCNQLBCNOV-UHFFFAOYSA-N; hydroxyphenyl substituted thiazole, 8; 3,3'-(1,3-Thiazole-2,4-diyl)diphenol

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

269.3

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C15H11NO2S
IUPAC Name: 3-[2-(3-hydroxyphenyl)-1,3-thiazol-4-yl]phenol
Canonical SMILES: C1=CC(=CC(=C1)O)C2=CSC(=N2)C3=CC(=CC=C3)O
InChI: InChI=1S/C15H11NO2S/c17-12-5-1-3-10(7-12)14-9-19-15(16-14)11-4-2-6-13(18)8-11/h1-9,17-18H
InChIKey: WSUUHCNQLBCNOV-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estradiol 17 beta-dehydrogenase 1 (17-beta-HSD1)	TTIWB6L	DHB1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as p... J Med Chem. 2008 Nov 13;51(21):6725-39.