Details of the Drug

General Information of Drug (ID: DMQS9OH)

Drug Name
N-(4-phenylsulfamoyl-naphthalen-1-yl)-benzamide
Synonyms CHEMBL222110; N-(4-phenylsulfamoyl-naphthalen-1-yl)-benzamide; SCHEMBL1337989
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 402.5
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C23H18N2O3S
IUPAC Name
N-[4-(phenylsulfamoyl)naphthalen-1-yl]benzamide
Canonical SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=C(C3=CC=CC=C32)S(=O)(=O)NC4=CC=CC=C4
InChI
InChI=1S/C23H18N2O3S/c26-23(17-9-3-1-4-10-17)24-21-15-16-22(20-14-8-7-13-19(20)21)29(27,28)25-18-11-5-2-6-12-18/h1-16,25H,(H,24,26)
InChIKey
WLKYPFNFQJMVGH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11774008
TTD ID
D0K8BZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
C-C chemokine receptor type 8 (CCR8) TTE836A CCR8_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
C-C chemokine receptor type 8 (CCR8) DTT CCR8 2.96E-02 0.07 0.25
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Design, synthesis, and evaluation of naphthalene-sulfonamide antagonists of human CCR8. J Med Chem. 2007 Feb 8;50(3):566-84.