Details of the Drug

General Information of Drug (ID: DMGVRQ2)

Drug Name

R-18893

Indication

Disease Entry	ICD 11	Status	REF
Human immunodeficiency virus infection	1C62	Discontinued in Phase 2	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

340.2

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C14H11Cl2N3O3
IUPAC Name: 2-(2,6-dichlorophenyl)-2-(2-nitroanilino)acetamide
Canonical SMILES: C1=CC=C(C(=C1)NC(C2=C(C=CC=C2Cl)Cl)C(=O)N)[N+](=O)[O-]
InChI: InChI=1S/C14H11Cl2N3O3/c15-8-4-3-5-9(16)12(8)13(14(17)20)18-10-6-1-2-7-11(10)19(21)22/h1-7,13,18H,(H2,17,20)
InChIKey: BSFPWNBIKBSHRL-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	Modulator	[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 800002204)
2	EP patent application no. 0767664, Combination therapy for hiv infection.