Details of the Drug

General Information of Drug (ID: DMS2WB5)

• Drug Name: CX157
• Synonyms: CX157; O6L62LZJ0Q; CX-157; CX 157; 205187-53-7; UNII-O6L62LZJ0Q; SCHEMBL235650; DTXSID40174517; PDIMOTRDGUQMNY-UHFFFAOYSA-N; HY-100178; CS-0018174; 3-fluoro-7-(2,2,2-trifluoroethoxy)phenoxathiin 10,10-dioxide; Phenoxathiin, 3-fluoro-7-(2,2,2-trifluoroethoxy)-, 10,10-dioxide

Indication

Disease Entry	ICD 11	Status	REF
Mood disorder	6A60-6E23	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 348.27
  Logarithm of the Partition Coefficient (xlogp); 3.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C14H8F4O4S
  IUPAC Name: 3-fluoro-7-(2,2,2-trifluoroethoxy)phenoxathiine 10,10-dioxide
  Canonical SMILES: C1=CC2=C(C=C1OCC(F)(F)F)OC3=C(S2(=O)=O)C=CC(=C3)F
  InChI: InChI=1S/C14H8F4O4S/c15-8-1-3-12-10(5-8)22-11-6-9(21-7-14(16,17)18)2-4-13(11)23(12,19)20/h1-6H,7H2
  InChIKey: PDIMOTRDGUQMNY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 18687754
  CAS Number: 205187-53-7
  UNII: O6L62LZJ0Q
  DrugBank ID: DB05205
  TTD ID: D00RWQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type A (MAO-A)	TT3WG5C	AOFA_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Mood disorder
• ICD Disease Classification: 6A60-6E23

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Monoamine oxidase type A (MAO-A)	DTT	MAOA	8.14E-01	0.05	0.1

References

• [1] ClinicalTrials.gov (NCT01246908) Efficacy, Safety and Tolerability of CX157 in Treatment Resistant Depression. U.S. National Institutes of Health.
• [2] Reversible inhibitors of monoamine oxidase-A (RIMAs): robust, reversible inhibition of human brain MAO-A by CX157. Neuropsychopharmacology. 2010 Feb;35(3):623-31.