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]
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
PubChem CID
25093377
ChEBI ID
CHEMBL512196
TTD ID
D0T6WL
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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]
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.