Details of the Drug

General Information of Drug (ID: DMMX65T)

Drug Name
N-[4-(trifluoromethyl)phenyl]sulfamide
Synonyms
N-[4-(trifluoromethyl)phenyl]sulfamide; CHEMBL167179; N-[4-(trifluoromethyl)phenyl]sulfuric diamide; 556068-13-4; (4-trifluoromethylphenyl)sulfamide; SCHEMBL1645153; ZINC13488092; BDBM50124177; AKOS027393975; KB-300897; 79478-EP2305698A2; 79478-EP2305696A2; 79478-EP2305697A2
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) 240.21
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C7H7F3N2O2S
IUPAC Name
1-(sulfamoylamino)-4-(trifluoromethyl)benzene
Canonical SMILES
C1=CC(=CC=C1C(F)(F)F)NS(=O)(=O)N
InChI
InChI=1S/C7H7F3N2O2S/c8-7(9,10)5-1-3-6(4-2-5)12-15(11,13)14/h1-4,12H,(H2,11,13,14)
InChIKey
LTJDGKNETMQCBO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10421755
TTD ID
D0K5NQ

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 Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, IX, and XII with N-hydroxy... Bioorg Med Chem Lett. 2005 May 2;15(9):2353-8.