Details of the Drug

General Information of Drug (ID: DM43CIK)

Drug Name
3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide
Synonyms CHEMBL512633; 3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide
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) 315.3
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H13N3O3S
IUPAC Name
3-phenyl-5-sulfamoyl-1H-indole-2-carboxamide
Canonical SMILES
C1=CC=C(C=C1)C2=C(NC3=C2C=C(C=C3)S(=O)(=O)N)C(=O)N
InChI
InChI=1S/C15H13N3O3S/c16-15(19)14-13(9-4-2-1-3-5-9)11-8-10(22(17,20)21)6-7-12(11)18-14/h1-8,18H,(H2,16,19)(H2,17,20,21)
InChIKey
QMGMALTZHHCWGS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44574267
TTD ID
D07OMY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase I (CA-I) TTHQPL7 CAH1_HUMAN Inhibitor [1]
Carbonic anhydrase II (CA-II) TTANPDJ CAH2_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
Carbonic anhydrase I (CA-I) DTT CA1 5.23E-14 -0.11 -0.41
Carbonic anhydrase II (CA-II) DTT CA2 7.95E-08 0.52 0.33
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Discovery of low nanomolar and subnanomolar inhibitors of the mycobacterial beta-carbonic anhydrases Rv1284 and Rv3273. J Med Chem. 2009 Jul 9;52(13):4063-7.