Details of the Drug

General Information of Drug (ID: DMDUW9F)

• Drug Name: Sulfamic acid 4-benzoyl-phenyl ester
• Synonyms: CHEMBL304708; Sulfamic acid 4-benzoyl-phenyl ester; SCHEMBL9451248; 4-(Aminosulfonyloxy)benzophenone; LWUJBMNPWUQTGS-UHFFFAOYSA-N; Sulfamic acid 4-benzoylphenyl ester

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 277.3
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C13H11NO4S
  IUPAC Name: (4-benzoylphenyl) sulfamate
  Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OS(=O)(=O)N
  InChI: InChI=1S/C13H11NO4S/c14-19(16,17)18-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,(H2,14,16,17)
  InChIKey: LWUJBMNPWUQTGS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9817055
  TTD ID: D0B2XN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Steryl-sulfatase (STS)	TTHM0R1	STS_HUMAN	Inhibitor	[1]

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
Steryl-sulfatase (STS)	DTT	STS	1.80E-38	-0.79	-1.15

References

• [1] 4,4'-Benzophenone-O,O'-disulfamate: a potent inhibitor of steroid sulfatase. Bioorg Med Chem Lett. 2002 Aug 19;12(16):2093-5.