Details of the Drug

General Information of Drug (ID: DM3WBZP)

Drug Name
N-(1-benzofuran-3-ylmethyl)sulfamide
Synonyms CHEMBL1077117; N-(1-benzofuran-3-ylmethyl)sulfamide; Sulfamide, N-(3-benzofuranylmethyl)-; SCHEMBL4279478; XOBOZYKTCAJRGO-UHFFFAOYSA-N; N-(3-benzofuranylmethyl)-sulfamide; BDBM50310434
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) 226.25
Logarithm of the Partition Coefficient (xlogp) 0.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C9H10N2O3S
IUPAC Name
3-[(sulfamoylamino)methyl]-1-benzofuran
Canonical SMILES
C1=CC=C2C(=C1)C(=CO2)CNS(=O)(=O)N
InChI
InChI=1S/C9H10N2O3S/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
InChIKey
XOBOZYKTCAJRGO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11521450
TTD ID
D0M7DE

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 Novel, broad-spectrum anticonvulsants containing a sulfamide group: advancement of N-((benzo[b]thien-3-yl)methyl)sulfamide (JNJ-26990990) into huma... J Med Chem. 2009 Dec 10;52(23):7528-36.