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
Structure
3D MOL 2D MOL
#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
CHEMBL43533
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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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