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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#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
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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Amine oxidase A (MAOA)	OT8NIWMQ	AOFA_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

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.
3	Novel reversible monoamine oxidase A inhibitors: highly potent and selective 3-(1H-pyrrol-3-yl)-2-oxazolidinones. J Med Chem. 2011 Dec 8;54(23):8228-32.