Details of the Drug

General Information of Drug (ID: DM7K0PH)

Drug Name

HI-281

Synonyms

HI-281; CHEMBL290312; DDE281; AC1LAQRC; CTK7B5925; BDBM50078262; 4-[(3,5-Dimethylphenyl)methyl]-3-(methylethyl)-6-(methylthiomethylthio)hydropyridin-2-one; 4-(3,5-Dimethyl-benzyl)-3-isopropyl-6-methylsulfanylmethylsulfanyl-1H-pyridin-2-one; 4-(3,5-dimethylbenzyl)-3-(1-methylethyl)-6-{[(methylsulfanyl)methyl]sulfanyl}pyridin-2(1h)-one; 4-[(3,5-dimethylphenyl)methyl]-6-(methylsulfanylmethylsulfanyl)-3-propan-2-yl-1H-pyridin-2-one

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)

347.5

Logarithm of the Partition Coefficient (xlogp)

5

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H25NOS2
IUPAC Name: 4-[(3,5-dimethylphenyl)methyl]-6-(methylsulfanylmethylsulfanyl)-3-propan-2-yl-1H-pyridin-2-one
Canonical SMILES: CC1=CC(=CC(=C1)CC2=C(C(=O)NC(=C2)SCSC)C(C)C)C
InChI: InChI=1S/C19H25NOS2/c1-12(2)18-16(9-15-7-13(3)6-14(4)8-15)10-17(20-19(18)21)23-11-22-5/h6-8,10,12H,9,11H2,1-5H3,(H,20,21)
InChIKey: AGRSTTVMWWVJEL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 473269
TTD ID: D07BXD

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	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.