Details of the Drug

General Information of Drug (ID: DMNEY58)

• Drug Name: ML272
• Synonyms: N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-2-naphthamide; CHEMBL492797; 1130067-18-3; ML272; VU0155056-2; SCHEMBL2724877; BDBM87245; cid_53481919; CHEBI:131157; NCGC00386898-01; VU0155056-3; VU0155056-1; US9453017, 3; VU0156056 (1); N-[2-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]ethyl]-2-naphthamide;hydrochloride; N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]-2-naphthalenecarboxamide;hydrochloride; N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 414.5
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C25H26N4O2
  IUPAC Name: N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
  Canonical SMILES: C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCNC(=O)C4=CC5=CC=CC=C5C=C4
  InChI: InChI=1S/C25H26N4O2/c30-24(20-10-9-18-5-1-2-6-19(18)17-20)26-13-16-28-14-11-21(12-15-28)29-23-8-4-3-7-22(23)27-25(29)31/h1-10,17,21H,11-16H2,(H,26,30)(H,27,31)
  InChIKey: IXLLRNNFUYEADZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 25105704
  ChEBI ID: CHEMBL492797
  TTD ID: D0CI4A
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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.