Details of the Drug

General Information of Drug (ID: DMLRTN1)

Drug Name

CI-1012

Synonyms

NCS-675753; PD-161374; HIV replication inhibitor, Parke-Davis/NIAID

Indication

Disease Entry	ICD 11	Status	REF
Acquired immune deficiency syndrome	1C62.3	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

304.4

Logarithm of the Partition Coefficient (xlogp)

1.8

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C14H12N2O2S2
IUPAC Name: 2-[(2-carbamoylphenyl)disulfanyl]benzamide
Canonical SMILES: C1=CC=C(C(=C1)C(=O)N)SSC2=CC=CC=C2C(=O)N
InChI: InChI=1S/C14H12N2O2S2/c15-13(17)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
InChIKey: OEEHSSKRJOGQMP-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 Deoxyribonucleic acid (HIV DNA)	TT3NH7G	NOUNIPROTAC	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

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 800007001)
2	WO patent application no. 2006,0835,53, Diketo acids with nucleobase scaffolds: anti-hiv replication inhibitors targeted at hiv integrase.