Details of the Drug

General Information of Drug (ID: DMDSF0Q)

Drug Name

TROVIRDINE HYDROCHLORIDE

Synonyms

TROVIRDINE HYDROCHLORIDE; 148311-89-1; UNII-70714531RJ; 70714531RJ; AC1NS2PN; CHEMBL543611; SCHEMBL2231102; KB-81362; 1-(5-bromopyridin-2-yl)-3-(2-pyridin-2-ylethyl)thiourea hydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Human immunodeficiency virus infection	1C62	Phase 1	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

373.7

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

4

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

3

Chemical Identifiers

Formula: C13H14BrClN4S
IUPAC Name: 1-(5-bromopyridin-2-yl)-3-(2-pyridin-2-ylethyl)thiourea;hydrochloride
Canonical SMILES: C1=CC=NC(=C1)CCNC(=S)NC2=NC=C(C=C2)Br.Cl
InChI: InChI=1S/C13H13BrN4S.ClH/c14-10-4-5-12(17-9-10)18-13(19)16-8-6-11-3-1-2-7-15-11;/h1-5,7,9H,6,8H2,(H2,16,17,18,19);1H
InChIKey: IUQKLSJRANLIKE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5327620
CAS Number: 148311-89-1
TTD ID: D09PRN

Drug-Molecule Activity Atlas (DMA)^NEW

Click to Jump to the Detailed DMA Information of This Drug

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	Modulator	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002628)
2	Inhibition of human immunodeficiency virus type 1 wild-type and mutant reverse transcriptases by the phenyl ethyl thiazolyl thiourea derivatives tr... Antiviral Res. 1995 Dec;28(4):331-42.