Details of the Drug

General Information of Drug (ID: DMG36BD)

Drug Name

HI-244

Synonyms

CHEMBL144604; HI-256; AC1MHE9N; SCHEMBL6847403; BDBM50097041; AKOS030007896; 1-(5-bromo-2-pyridyl)-3-[2-(4-hydroxyphenyl)ethyl]thiourea; N-[2-(4-Hydroxyphenethyl)]-N'-[2-(5-bromopyridyl)]thiourea; 1-(5-bromopyridin-2-yl)-3-[2-(4-hydroxyphenyl)ethyl]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)

352.25

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H14BrN3OS
IUPAC Name: 1-(5-bromopyridin-2-yl)-3-[2-(4-hydroxyphenyl)ethyl]thiourea
Canonical SMILES: C1=CC(=CC=C1CCNC(=S)NC2=NC=C(C=C2)Br)O
InChI: InChI=1S/C14H14BrN3OS/c15-11-3-6-13(17-9-11)18-14(20)16-8-7-10-1-4-12(19)5-2-10/h1-6,9,19H,7-8H2,(H2,16,17,18,20)
InChIKey: UAUYJJLEWDLTLK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3002300
TTD ID: D00DSQ

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.