Details of the Drug

General Information of Drug (ID: DMMT98V)

• Drug Name: US9127005, P2C
• Synonyms: CHEMBL3892578; BDBM179751; US9127005, P2C
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 413.5
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C23H25F2N3O2
  IUPAC Name: 4-fluoro-N-[2-[4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]benzamide
  Canonical SMILES: C1CN(CCC12C(CNC2=O)C3=CC=C(C=C3)F)CCNC(=O)C4=CC=C(C=C4)F
  InChI: InChI=1S/C23H25F2N3O2/c24-18-5-1-16(2-6-18)20-15-27-22(30)23(20)9-12-28(13-10-23)14-11-26-21(29)17-3-7-19(25)8-4-17/h1-8,20H,9-15H2,(H,26,29)(H,27,30)
  InChIKey: BPCQYJWHRHUHQC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 68182802
  TTD ID: D06OKT

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] Isoform selective phospholipase D inhibitors. US9127005.