Details of the Drug

General Information of Drug (ID: DMPICE1)

• Drug Name: US8901295, F673
• Synonyms: SCHEMBL2039389; CHEMBL3639462; BDBM140003; US8901295, F673
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 386.9
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C20H23ClN4O2
  IUPAC Name: 1-[(4-aminophenyl)methyl]-3-[2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]urea
  Canonical SMILES: C1CC(N(C1)C(=O)CNC(=O)NCC2=CC=C(C=C2)N)C3=CC=CC=C3Cl
  InChI: InChI=1S/C20H23ClN4O2/c21-17-5-2-1-4-16(17)18-6-3-11-25(18)19(26)13-24-20(27)23-12-14-7-9-15(22)10-8-14/h1-2,4-5,7-10,18H,3,6,11-13,22H2,(H2,23,24,27)
  InChIKey: HPUOXERGZUDYRB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 67257505
  TTD ID: D0KO5D

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Rotamase D (PPID)	TTNAFOU	PPID_HUMAN	Inhibitor	[1]

References

• [1] Inhibitors of cyclophilins and uses thereof. US8901295.