Details of the Drug

General Information of Drug (ID: DM61CJK)

Drug Name
4-Sulfonamide-[1-(4-Aminobutane)]Benzamide
Synonyms 4-sulfonamide-[1-(4-aminobutane)]benzamide; N-(4-aminobutyl)-4-sulfamoylbenzamide; AC1L1C69; CHEMBL331282; DB03697
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) 271.34
Logarithm of the Partition Coefficient (xlogp) -0.4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C11H17N3O3S
IUPAC Name
N-(4-aminobutyl)-4-sulfamoylbenzamide
Canonical SMILES
C1=CC(=CC=C1C(=O)NCCCCN)S(=O)(=O)N
InChI
InChI=1S/C11H17N3O3S/c12-7-1-2-8-14-11(15)9-3-5-10(6-4-9)18(13,16)17/h3-6H,1-2,7-8,12H2,(H,14,15)(H2,13,16,17)
InChIKey
ZDYFRIZTYRFPJC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
1758
DrugBank ID
DB03697
TTD ID
D0O0HT

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 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.