Details of the Drug

General Information of Drug (ID: DMEAUJT)

• Drug Name: US8901295, F609
• Synonyms: SCHEMBL2039766; CHEMBL3647430; BDBM140001; US8901295, F609
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 382.5
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C21H26N4O3
  IUPAC Name: 1-[(4-aminophenyl)methyl]-3-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]urea
  Canonical SMILES: COC1=CC=CC=C1C2CCCN2C(=O)CNC(=O)NCC3=CC=C(C=C3)N
  InChI: InChI=1S/C21H26N4O3/c1-28-19-7-3-2-5-17(19)18-6-4-12-25(18)20(26)14-24-21(27)23-13-15-8-10-16(22)11-9-15/h2-3,5,7-11,18H,4,6,12-14,22H2,1H3,(H2,23,24,27)
  InChIKey: VJEMAKQKNYWEFQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 67257644
  TTD ID: D08YMT

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.