Details of the Drug

General Information of Drug (ID: DM6QU5B)

Drug Name

1-phenyl-3-(1,3,4-thiadiazol-2-yl)thiourea

Synonyms

1-phenyl-3-(1,3,4-thiadiazol-2-yl)thiourea; CHEMBL1253381; AC1LHWR1; SCHEMBL13779380; MolPort-002-153-004; ZINC436272; BDBM50326573; AKOS000986880; MCULE-5997854144; SDCCGMLS-0064737.P001; ST50980881; AB00086777-01; SR-01000210707; SR-01000210707-1; Z56753795; (phenylamino)(1,3,4-thiadiazol-2-ylamino)methane-1-thione

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)

236.3

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C9H8N4S2
IUPAC Name: 1-phenyl-3-(1,3,4-thiadiazol-2-yl)thiourea
Canonical SMILES: C1=CC=C(C=C1)NC(=S)NC2=NN=CS2
InChI: InChI=1S/C9H8N4S2/c14-8(12-9-13-10-6-15-9)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
InChIKey: CSUHGRXUQXQHRB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 870537
TTD ID: D0YY2W

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
MIF messenger RNA (MIF mRNA)	TT6804T	MIF_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	An integrative in silico methodology for the identification of modulators of macrophage migration inhibitory factor (MIF) tautomerase activity. Bioorg Med Chem. 2010 Jul 15;18(14):5425-40.