Details of the Drug

General Information of Drug (ID: DM9KF0H)

• Drug Name: Ethyl Oxo(Piperidin-1-Yl)Acetate
• Synonyms: 53074-96-7; Ethyl 1-piperidineglyoxylate; Ethyl 1-piperidineoxoacetate; ETHYL OXO(PIPERIDIN-1-YL)ACETATE; ethyl 2-oxo-2-(piperidin-1-yl)acetate; ASBDXHCMVYVJQQ-UHFFFAOYSA-N; 1-Piperidineaceticacid, a-oxo-, ethyl ester; E1P; Ethyl1-piperidineglyoxylate; EINECS 258-343-9; N-ethoxalylpiperidine; 1w8m; AI3-26189; AC1L2WQF; ethyl 2-oxo-2-piperidylacetate; SCHEMBL1819086; CTK4J7020; DTXSID60201157; MolPort-001-510-784; Ethyl oxo(1-piperidinyl)acetate #; ZINC2149356; ALBB-030316; ethyl 2-oxo-2-piperidin-1-ylacetate; AKOS000444140

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 185.22
  Logarithm of the Partition Coefficient (xlogp); 1.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C9H15NO3
  IUPAC Name: ethyl 2-oxo-2-piperidin-1-ylacetate
  Canonical SMILES: CCOC(=O)C(=O)N1CCCCC1
  InChI: InChI=1S/C9H15NO3/c1-2-13-9(12)8(11)10-6-4-3-5-7-10/h2-7H2,1H3
  InChIKey: ASBDXHCMVYVJQQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 104406
  CAS Number: 53074-96-7
  DrugBank ID: DB02419
  TTD ID: D0P8IK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Rotamase A (PPIA)	TTL2ADK	PPIA_HUMAN	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.