Details of the Drug

General Information of Drug (ID: DMRTHW1)

Drug Name
PHENYLSULFAMIDE
Synonyms
phenylsulfamide; N-phenylsulfamide; 15959-53-2; N-phenylaminosulfonamide; aniline sulfonic acid amide; CHEMBL168514; Sulfamide, phenyl-; Sulfamide, N-phenyl-; (Sulfamoylamino)Benzene; N-Phenylsulfuric diamide; SCHEMBL253104; CTK0E6878; DTXSID50574504; DEVUYWTZRXOMSI-UHFFFAOYSA-N; MolPort-030-912-022; ZINC13488090; BDBM50124170; AKOS029900887; 79499-EP2305698A2; 79499-EP2305697A2; 79499-EP2305695A2; 79499-EP2305696A2
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) 172.21
Logarithm of the Partition Coefficient (xlogp) 0.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C6H8N2O2S
IUPAC Name
(sulfamoylamino)benzene
Canonical SMILES
C1=CC=C(C=C1)NS(=O)(=O)N
InChI
InChI=1S/C6H8N2O2S/c7-11(9,10)8-6-4-2-1-3-5-6/h1-5,8H,(H2,7,9,10)
InChIKey
DEVUYWTZRXOMSI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
15569631
CAS Number
15959-53-2
TTD ID
D06IYU

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 Inhibition of carbonic anhydrase-II by sulfamate and sulfamide groups: an investigation involving direct thermodynamic binding measurements. J Med Chem. 2006 Jun 15;49(12):3496-500.