Details of the Drug

General Information of Drug (ID: DMT9QB5)

Drug Name

MIV-170

Synonyms

MIV-140; MSK-076; Non-nucleoside reverse transcriptase inhibitors, Medivir; HIV polymerase inhibitors, Medivir/Bristol-Myers Squibb; NNRTIs (HIV infection), Medivir/Bristol-Myers Squibb

Indication

Disease Entry	ICD 11	Status	REF
Human immunodeficiency virus infection	1C62	Terminated	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

485.5

Topological Polar Surface Area (xlogp)

3.5

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C24H21F2N3O4S
IUPAC Name: 1-[(1R,1aR,7bR)-4,7-difluoro-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl]-3-[4-(4-sulfamoylphenoxy)phenyl]urea
Canonical SMILES: C1CC2=C(C=CC(=C2[C@H]3[C@@H]1[C@H]3NC(=O)NC4=CC=C(C=C4)OC5=CC=C(C=C5)S(=O)(=O)N)F)F
InChI: InChI=1S/C24H21F2N3O4S/c25-19-11-12-20(26)21-17(19)9-10-18-22(21)23(18)29-24(30)28-13-1-3-14(4-2-13)33-15-5-7-16(8-6-15)34(27,31)32/h1-8,11-12,18,22-23H,9-10H2,(H2,27,31,32)(H2,28,29,30)/t18-,22-,23-/m1/s1
InChIKey: FRIDRXJGZVLPIQ-SXSPYAJSSA-N

Cross-matching ID

PubChem CID: 71589251
TTD ID: D04AUA

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	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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 800019379)
2	Inhibition of HIV-1 by non-nucleoside reverse transcriptase inhibitors via an induced fit mechanism-Importance of slow dissociation and relaxation rates for antiviral efficacy. Biochem Pharmacol. 2010 Oct 15;80(8):1133-40.
3	Antiviral drugs in current clinical use. J Clin Virol. 2004 Jun;30(2):115-33.
4	HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism.Nat Struct Mol Biol.2012 Jan 22;19(2):253-9.
5	A peptide inhibitor of HIV-1 reverse transcriptase using alpha,beta-dehydro residues: a structure-based computer model. J Biomol Struct Dyn. 1998 Oct;16(2):347-54.
6	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
7	Quadruple nucleos(t)ide reverse transcriptase inhibitors-only regimen of tenofovir plus zidovudine/lamivudine/abacavir in heavily pre-treated HIV-1 infected patients: salvage therapy or backbone only Curr HIV Res. 2009 May;7(3):320-6.
8	Emerging antiviral drugs. Expert Opin Emerg Drugs. 2008 Sep;13(3):393-416.
9	2008 FDA drug approvals. Nat Rev Drug Discov. 2009 Feb;8(2):93-6.