Details of the Drug

General Information of Drug (ID: DMRHQLF)

• Drug Name: US10179791, Compound 176
• Synonyms: SCHEMBL327072; BDBM321322; US10179791, Compound 176
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 432.3
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C23H23Cl2NO3
  IUPAC Name: 2-[6-[2-(2,6-dichlorophenyl)cyclopropyl]spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]acetic acid
  Canonical SMILES: C1CN(CCC12COC3=C2C=CC(=C3)C4CC4C5=C(C=CC=C5Cl)Cl)CC(=O)O
  InChI: InChI=1S/C23H23Cl2NO3/c24-18-2-1-3-19(25)22(18)16-11-15(16)14-4-5-17-20(10-14)29-13-23(17)6-8-26(9-7-23)12-21(27)28/h1-5,10,15-16H,6-9,11-13H2,(H,27,28)
  InChIKey: UTYPIEPGWJMTNG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56599386
  TTD ID: D0O4RX

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] Spiro-cyclic amine derivatives as S1P modulators. US10179791.