General Information of Drug (ID: DMUZL3J)

Drug Name
N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
Synonyms
N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE; N-[(2,3-difluorophenyl)methyl]-4-sulfamoylbenzamide; F2B; N-(2,3-Difluorobenzyl)-4-sulfamoylbenzamide; 235088-49-0; 2,3-difluoro-SBB; AC1L1C1I; CTK0I7898; BDBM12016; DTXSID80274323; 1g52; 1g46; AKOS030577745; DB07742; Benzamide, 4-(aminosulfonyl)-N-[(2,3-difluorophenyl)methyl]-
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) 326.32
Logarithm of the Partition Coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C14H12F2N2O3S
IUPAC Name
N-[(2,3-difluorophenyl)methyl]-4-sulfamoylbenzamide
Canonical SMILES
C1=CC(=C(C(=C1)F)F)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C14H12F2N2O3S/c15-12-3-1-2-10(13(12)16)8-18-14(19)9-4-6-11(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
InChIKey
QASSMVGOSBNFQY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1700
CAS Number
235088-49-0
DrugBank ID
DB07742
TTD ID
D0A7ZH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
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 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 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.