Details of the Drug

General Information of Drug (ID: DMMAS3K)

Drug Name
SULFAMIDE
Synonyms
Sulfuric diamide; 7803-58-9; Sulfamamide; Sulfuryl amide; Sulfuryl diamide; Sulfonyl diamide; sulfamoylamine; sulphamide; Sulphuric diamide; UNII-VS7TZW634V; Imidosulfamic acid; H4N2O2S; H2NSO2NH2; VS7TZW634V; CHEMBL355001; CHEBI:29368; NVBFHJWHLNUMCV-UHFFFAOYSA-N; MFCD00011606; Sulfamide, 98+%; Imidosulfamic acid (VAN); aminosulfonamide; NSC 252; diamidodioxidosulfur; EINECS 232-262-9; Sulfamide, 99%; AI3-30237; NH2SO2NH2; AC1Q55HN; KSC377O7F; NSC252; AC1L332P; DTXSID5064885; CTK2H7772; BDBM26995; NSC-252; MolPort-000-146-081
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 96.11
Logarithm of the Partition Coefficient (xlogp) -1.7
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
H4N2O2S
IUPAC Name
sulfamide
Canonical SMILES
NS(=O)(=O)N
InChI
InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)
InChIKey
NVBFHJWHLNUMCV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
82267
ChEBI ID
CHEBI:29368
CAS Number
7803-58-9
TTD ID
D0V0UK

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase (CA) TTUNARX NOUNIPROTAC Inhibitor [1]
Carbonic anhydrase I (CA-I) TTHQPL7 CAH1_HUMAN Inhibitor [2]
Carbonic anhydrase II (CA-II) TTANPDJ CAH2_HUMAN Inhibitor [2]
Carbonic anhydrase IV (CA-IV) TTZHA0O CAH4_HUMAN Inhibitor [1]
Carbonic anhydrase IX (CA-IX) TT2LVK8 CAH9_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Carbonic anhydrase IV (CA-IV) DTT CA4 1.58E-77 -2.02 -1.77
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
Carbonic anhydrase IX (CA-IX) DTT CA9 1.12E-10 -0.03 -0.09
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mamm... Bioorg Med Chem Lett. 2010 Jun 15;20(12):3601-5.
2 Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions. Bioorg Med Chem Lett. 2004 Nov 1;14(21):5435-9.
3 Carbonic anhydrase inhibitors. Inhibition of isozymes I, II, IV, V, and IX with anions isosteric and isoelectronic with sulfate, nitrate, and carbo... Bioorg Med Chem Lett. 2005 Feb 1;15(3):567-71.