Details of the Drug

General Information of Drug (ID: DMLCYX8)

• Drug Name: S-15261
• Synonyms: L-4-[2-[2-(9-Fluorenyl)acetamido]ethyl]benzoic acid 2-[2-methoxy-2-[3-(trifluoromethyl)phenyl]ethylamino]ethyl ester

Indication

Disease Entry	ICD 11	Status	REF
Diabetic complication	5A2Y	Discontinued in Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 616.7
  Logarithm of the Partition Coefficient (xlogp); 6.2
  Rotatable Bond Count (rotbonds); 14
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C36H35F3N2O4
  IUPAC Name: 2-[[2-methoxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl 4-[2-[[2-(9H-fluoren-9-yl)acetyl]amino]ethyl]benzoate
  Canonical SMILES: COC(CNCCOC(=O)C1=CC=C(C=C1)CCNC(=O)CC2C3=CC=CC=C3C4=CC=CC=C24)C5=CC(=CC=C5)C(F)(F)F
  InChI: InChI=1S/C36H35F3N2O4/c1-44-33(26-7-6-8-27(21-26)36(37,38)39)23-40-19-20-45-35(43)25-15-13-24(14-16-25)17-18-41-34(42)22-32-30-11-4-2-9-28(30)29-10-3-5-12-31(29)32/h2-16,21,32-33,40H,17-20,22-23H2,1H3,(H,41,42)
  InChIKey: ASWYZRRXMGAWGN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3074609
  CAS Number: 159978-02-6
  TTD ID: D01VWR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Insulin (INS)	TTZOPHG	INS_HUMAN	Modulator	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Diabetic complication
• ICD Disease Classification: 5A2Y

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Insulin (INS)	DTT	INS	6.70E-01	-0.12	-0.46

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004396)
• [2] Beneficial insulin-sensitizing and vascular effects of S15261 in the insulin-resistant JCR:LA-cp rat. J Pharmacol Exp Ther. 2000 Nov;295(2):753-60.