Details of the Drug

General Information of Drug (ID: DM57S3D)

Drug Name

MEN-10690

Synonyms

MEN 10690; AC1LA5QI; CHEMBL36080; 11-ethyl-6,8,9-trimethylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide; 11-ethyl-6,8,9-trimethyl-pyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide; 5-Ethyl-7,8,10-trimethyl-5,10-dihydro-11-thia-4,5,10-triaza-11H-dibenzo[a,d]cycloheptene 11,11-dioxide

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

317.4

Topological Polar Surface Area (xlogp)

2.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C16H19N3O2S
IUPAC Name: 11-ethyl-6,8,9-trimethylpyrido[3,2-c][2,1,5]benzothiadiazepine 5,5-dioxide
Canonical SMILES: CCN1C2=C(C=C(C(=C2)C)C)N(S(=O)(=O)C3=C1N=CC=C3)C
InChI: InChI=1S/C16H19N3O2S/c1-5-19-14-10-12(3)11(2)9-13(14)18(4)22(20,21)15-7-6-8-17-16(15)19/h6-10H,5H2,1-4H3
InChIKey: WLQKTBMFEMJDPC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 462253
TTD ID: D01VCW

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)

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 800008240)
2	US patent application no. 2004,0023,290, Novel therapeutic agents that modulate enzymatic processes.
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.