Details of the Drug

General Information of Drug (ID: DM4QDZV)

• Drug Name: 2',4'-dicyanobiphenyl-4-yl sulfamate
• Synonyms: CHEMBL592320; SCHEMBL4667745; BDBM50307888; 2'',4''-dicyanobiphenyl-4-yl sulfamate

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); 299.31
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C14H9N3O3S
  IUPAC Name: [4-(2,4-dicyanophenyl)phenyl] sulfamate
  Canonical SMILES: C1=CC(=CC=C1C2=C(C=C(C=C2)C#N)C#N)OS(=O)(=O)N
  InChI: InChI=1S/C14H9N3O3S/c15-8-10-1-6-14(12(7-10)9-16)11-2-4-13(5-3-11)20-21(17,18)19/h1-7H,(H2,17,18,19)
  InChIKey: VQTYXLRQENRZOV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9861093
  TTD ID: D0I4LL

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] Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template. J Med Chem. 2010 Mar 11;53(5):2155-70.