Details of the Drug

General Information of Drug (ID: DM0QYLP)

Drug Name

HI-242

Synonyms

HI-242; CHEMBL287978; DDE242; AC1MHDYR; SCHEMBL5888407; BDBM50078254; AKOS030051128; 1-(5-bromopyridin-2-yl)-3-[2-(4-fluorophenyl)ethyl]thiourea; 1-(5-bromo-2-pyridyl)-3-[2-(4-fluorophenyl)ethyl]thiourea; N-[2-(4-Fluorophenethyl)]-N'-[2-(5-bromopyridyl)]-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)

354.24

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H13BrFN3S
IUPAC Name: 1-(5-bromopyridin-2-yl)-3-[2-(4-fluorophenyl)ethyl]thiourea
Canonical SMILES: C1=CC(=CC=C1CCNC(=S)NC2=NC=C(C=C2)Br)F
InChI: InChI=1S/C14H13BrFN3S/c15-11-3-6-13(18-9-11)19-14(20)17-8-7-10-1-4-12(16)5-2-10/h1-6,9H,7-8H2,(H2,17,18,19,20)
InChIKey: SDMLMNPOMWSLBF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3001773
TTD ID: D03DZP

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	Antioxidant function of phenethyl-5-bromo-pyridyl thiourea compounds with potent anti-HIV activity. Bioorg Med Chem Lett. 2000 Jan 3;10(1):87-90.