Details of the Drug

General Information of Drug (ID: DMEP321)

Drug Name
BVT-74316
Synonyms BVT-5182; BVT-5182C; 5-HT6 antagonists (obesity), Biovitrum; 5-HT6 antagonists (obesity), Proximagen
Indication
Disease Entry ICD 11 Status REF
Obesity 5B81 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 416.5
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C21H24N2O5S
IUPAC Name
N-(2-methoxy-5-methylphenyl)-7-piperidin-4-yloxy-1-benzofuran-5-sulfonamide
Canonical SMILES
CC1=CC(=C(C=C1)OC)NS(=O)(=O)C2=CC(=C3C(=C2)C=CO3)OC4CCNCC4
InChI
InChI=1S/C21H24N2O5S/c1-14-3-4-19(26-2)18(11-14)23-29(24,25)17-12-15-7-10-27-21(15)20(13-17)28-16-5-8-22-9-6-16/h3-4,7,10-13,16,22-23H,5-6,8-9H2,1-2H3
InChIKey
UPQJYTNALAIZCC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16092139
CAS Number
917095-86-4
TTD ID
D02KLD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 6 receptor (HTR6) TTJS8PY 5HT6R_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Obesity
ICD Disease Classification 5B81
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 6 receptor (HTR6) DTT HTR6 1.23E-05 -0.12 -0.71
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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 800023034)
2 Pharmacological targeting of the serotonergic system for the treatment of obesity. J Physiol. 2009 January 1; 587(Pt 1): 49-60.