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: CHEBI:131157
  TTD ID: D0CI4A

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.