Details of the Drug

General Information of Drug (ID: DMC34UW)

Drug Name
3,3'-(1,2,4-thiadiazole-3,5-diyl)diphenol
Synonyms CHEMBL503399; SCHEMBL12871356; BDBM25839; hydroxyphenyl substituted thiadiazole, 11
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) 270.31
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C14H10N2O2S
IUPAC Name
3-[5-(3-hydroxyphenyl)-1,2,4-thiadiazol-3-yl]phenol
Canonical SMILES
C1=CC(=CC(=C1)O)C2=NSC(=N2)C3=CC(=CC=C3)O
InChI
InChI=1S/C14H10N2O2S/c17-11-5-1-3-9(7-11)13-15-14(19-16-13)10-4-2-6-12(18)8-10/h1-8,17-18H
InChIKey
OYXDKVOVGLCIIZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25093379
ChEBI ID
CHEMBL503399
TTD ID
D0A4XA
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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.