Details of the Drug

General Information of Drug (ID: DMG0QZ1)

• Drug Name: US9522888, 618
• Synonyms: SCHEMBL17511478; BDBM65302; US9522888, 618
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 479.5
  Logarithm of the Partition Coefficient (xlogp); -0.5
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C23H30NO6PS
  IUPAC Name: [(1R,3S)-1-amino-3-[(6S)-6-(benzenesulfonylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methyl dihydrogen phosphate
  Canonical SMILES: C1CC2=C(C[C@H]1CS(=O)(=O)C3=CC=CC=C3)C=CC(=C2)[C@H]4CC[C@@](C4)(COP(=O)(O)O)N
  InChI: InChI=1S/C23H30NO6PS/c24-23(16-30-31(25,26)27)11-10-21(14-23)20-9-8-18-12-17(6-7-19(18)13-20)15-32(28,29)22-4-2-1-3-5-22/h1-5,8-9,13,17,21H,6-7,10-12,14-16,24H2,(H2,25,26,27)/t17-,21-,23+/m0/s1
  InChIKey: UIXJBOOFWQSQAS-JWNTYJGQSA-N
• Cross-matching ID:
  PubChem CID: 118877354
  TTD ID: D0OH0T

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sphingosine-1-phosphate receptor 3 (S1PR3)	TTDYP7I	S1PR3_HUMAN	Inhibitor	[1]

References

• [1] Substituted bicyclic compounds. US10166249.