Details of the Drug

General Information of Drug (ID: DMVQ3IX)

• Drug Name: US9453017, 1
• Synonyms: CHEMBL3925090; BDBM247409; US9453017, 1
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 446.5
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C26H27FN4O2
  IUPAC Name: N-[2-[1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide
  Canonical SMILES: C1CN(CCC12CNC(=O)N2C3=CC(=CC=C3)F)CCNC(=O)C4=CC5=CC=CC=C5C=C4
  InChI: InChI=1S/C26H27FN4O2/c27-22-6-3-7-23(17-22)31-25(33)29-18-26(31)10-13-30(14-11-26)15-12-28-24(32)21-9-8-19-4-1-2-5-20(19)16-21/h1-9,16-17H,10-15,18H2,(H,28,32)(H,29,33)
  InChIKey: BYFCBILNFVVIKQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 131635533
  TTD ID: D08SLU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phospholipase D1 (PLD1)	TT3T17P	PLD1_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Phospholipase D1 (PLD1)	DTT	PLD1	7.36E-01	0.08	0.15

References

• [1] Antiviral therapies with phospholipase D inhibitors. US9453017.