Details of the Drug

General Information of Drug (ID: DMH71N6)

• Drug Name: Sulfamic acid 3-(4-hydroxy-benzoyl)-phenyl ester
• Synonyms: CHEMBL63504; Sulfamic acid 3-(4-hydroxy-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); 293.3
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C13H11NO5S
  IUPAC Name: [3-(4-hydroxybenzoyl)phenyl] sulfamate
  Canonical SMILES: C1=CC(=CC(=C1)OS(=O)(=O)N)C(=O)C2=CC=C(C=C2)O
  InChI: InChI=1S/C13H11NO5S/c14-20(17,18)19-12-3-1-2-10(8-12)13(16)9-4-6-11(15)7-5-9/h1-8,15H,(H2,14,17,18)
  InChIKey: VGINQGIMAOLOBO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44306775
  TTD ID: D0S5BA

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.