Details of the Drug

General Information of Drug (ID: DM5GELS)

• Drug Name: 1-Methyl-2-Oxy-5,5-Dimethyl Pyrrolidine
• Synonyms: 1-Methyl-2-Oxy-5,5-Dimethyl Pyrrolidine; 1,5,5-trimethylpyrrolidin-2-one; 119715-71-8; AC1L9GJJ; SCHEMBL4329315; 1,5,5-trimethylpyrrolid-2one; CHEBI:43533; 1,5,5-Trimethyl-2-pyrrolidone; 1,5,5-trimethylpyrrolid-2-one; YARDEGUIPATLSG-UHFFFAOYSA-N; 1,5,5-trimethyl-pyrrolidin-2-one; 2-Pyrrolidinone, 1,5,5-trimethyl-; DB03968

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); 127.18
  Logarithm of the Partition Coefficient (xlogp); 0.4
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C7H13NO
  IUPAC Name: 1,5,5-trimethylpyrrolidin-2-one
  Canonical SMILES: CC1(CCC(=O)N1C)C
  InChI: InChI=1S/C7H13NO/c1-7(2)5-4-6(9)8(7)3/h4-5H2,1-3H3
  InChIKey: YARDEGUIPATLSG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 444570
  ChEBI ID: CHEBI:43533
  CAS Number: 119715-71-8
  UNII: 6BC49782CZ
  DrugBank ID: DB03968
  TTD ID: D0A9BK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Angiotensinogenase renin (REN)	TTB2MXP	RENI_HUMAN	Inhibitor	[1]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.