Details of the Drug

General Information of Drug (ID: DMC1IKP)

Drug Name

1-(2-Phenoxy-ethyl)-3-thiazol-2-yl-thiourea

Synonyms

CHEMBL345996; AC1MHEHQ; 1-(2-Phenoxy-ethyl)-3-thiazol-2-yl-thiourea; BDBM50097040; 1-(2-phenoxyethyl)-3-thiazol-2-yl-thiourea; 1-(2-Phenoxyethyl)-3-(2-thiazolyl)thiourea; 1-(2-phenoxyethyl)-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)

279.4

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C12H13N3OS2
IUPAC Name: 1-(2-phenoxyethyl)-3-(1,3-thiazol-2-yl)thiourea
Canonical SMILES: C1=CC=C(C=C1)OCCNC(=S)NC2=NC=CS2
InChI: InChI=1S/C12H13N3OS2/c17-11(15-12-14-7-9-18-12)13-6-8-16-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2,(H2,13,14,15,17)
InChIKey: MJPUUVIJLSCJEY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3003029
TTD ID: D0PJ9J

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.