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

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.