Details of the Drug

General Information of Drug (ID: DMCKAWY)

Drug Name

HI-172

Synonyms

HI-172; CHEMBL288626; BDBM50078260

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)

329.26

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C12H17BrN4S
IUPAC Name: 1-(5-bromopyridin-2-yl)-3-(piperidin-1-ylmethyl)thiourea
Canonical SMILES: C1CCN(CC1)CNC(=S)NC2=NC=C(C=C2)Br
InChI: InChI=1S/C12H17BrN4S/c13-10-4-5-11(14-8-10)16-12(18)15-9-17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9H2,(H2,14,15,16,18)
InChIKey: QIWYYZPJZHMEPR-UHFFFAOYSA-N

Cross-matching ID

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]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Rational design of N-[2-(2,5-dimethoxyphenylethyl)]-N'-[2-(5-bromopyridyl)]-thiourea (HI-236) as a potent non-nucleoside inhibitor of drug-resistan... Bioorg Med Chem Lett. 1999 Jun 7;9(11):1593-8.