Details of the Drug

General Information of Drug (ID: DMF4BCP)

Drug Name

1-Furan-2-ylmethyl-3-thiazol-2-yl-thiourea

Synonyms

CHEMBL148698; AC1MHEHZ; 1-Furan-2-ylmethyl-3-thiazol-2-yl-thiourea; PHI-536; BDBM50097046; AKOS030027701; 1-(2-furylmethyl)-3-thiazol-2-yl-thiourea; 1-(2-Furanylmethyl)-3-(2-thiazolyl)thiourea; 1-(furan-2-ylmethyl)-3-(1,3-thiazol-2-yl)thiourea

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)

239.3

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C9H9N3OS2
IUPAC Name: 1-(furan-2-ylmethyl)-3-(1,3-thiazol-2-yl)thiourea
Canonical SMILES: C1=COC(=C1)CNC(=S)NC2=NC=CS2
InChI: InChI=1S/C9H9N3OS2/c14-8(12-9-10-3-5-15-9)11-6-7-2-1-4-13-7/h1-5H,6H2,(H2,10,11,12,14)
InChIKey: OLLCKULTVXOISU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3003032
TTD ID: D0B2BD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Reverse transcriptase (HIV RT)	TT84ETX	POL_HV1B1	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Anti-HIV activity of aromatic and heterocyclic thiazolyl thiourea compounds. Bioorg Med Chem Lett. 2001 Feb 26;11(4):523-8.