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
Logarithm of the Partition Coefficient (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]
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 800008240)
2 US patent application no. 2004,0023,290, Novel therapeutic agents that modulate enzymatic processes.