Details of the Drug

General Information of Drug (ID: DMSE9TH)

• Drug Name: MT-1303

Indication

Disease Entry	ICD 11	Status	REF
Crohn disease	DD70	Phase 2	[1]
Multiple sclerosis	8A40	Phase 2	[2]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight; 413.9
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 12
  Hydrogen Bond Donor Count; 4
  Hydrogen Bond Acceptor Count; 7
• Chemical Identifiers:
  Formula: C19H31ClF3NO3
  IUPAC Name: 2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;hydrochloride
  Canonical SMILES: CCCCCCCOC1=C(C=C(C=C1)CCC(CO)(CO)N)C(F)(F)F.Cl
  InChI: InChI=1S/C19H30F3NO3.ClH/c1-2-3-4-5-6-11-26-17-8-7-15(12-16(17)19(20,21)22)9-10-18(23,13-24)14-25;/h7-8,12,24-25H,2-6,9-11,13-14,23H2,1H3;1H
  InChIKey: GEDVJGOVRLHFQG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 67418070
  CAS Number: 942398-84-7
  TTD ID: D00ISN
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sphingosine-1-phosphate receptor 1 (S1PR1)	TT9JZCK	S1PR1_HUMAN	Modulator	[3]

Molecular Expression Atlas of This Drug

• The Studied Disease: Crohn disease
• ICD Disease Classification: DD70

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Sphingosine-1-phosphate receptor 1 (S1PR1)	DTT	S1PR1	1.41E-119	-2.24	-3.66

References

• [1] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [2] ClinicalTrials.gov (NCT01890655) Extension Study of MT-1303. U.S. National Institutes of Health.
• [3] Sphingosine 1-Phosphate Receptor Modulators in Multiple Sclerosis. CNS Drugs. 2015 Jul;29(7):565-75.