Details of the Drug

General Information of Drug (ID: DMFVE3N)

• Drug Name: Sulfamic acid 3-(4-methoxy-benzoyl)-phenyl ester
• Synonyms: CHEMBL434211; Sulfamic acid 3-(4-methoxy-benzoyl)-phenyl 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); 307.32
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C14H13NO5S
  IUPAC Name: [3-(4-methoxybenzoyl)phenyl] sulfamate
  Canonical SMILES: COC1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)N
  InChI: InChI=1S/C14H13NO5S/c1-19-12-7-5-10(6-8-12)14(16)11-3-2-4-13(9-11)20-21(15,17)18/h2-9H,1H3,(H2,15,17,18)
  InChIKey: ARBLJGHHCKHHLN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44306687
  TTD ID: D05KKB

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.