Details of the Drug

General Information of Drug (ID: DM49YTN)

Drug Name
(3r)-1-Acetyl-3-Methylpiperidine
Synonyms (3R)-1-ACETYL-3-METHYLPIPERIDINE; 1-[(3R)-3-methylpiperidin-1-yl]ethanone; 1P3; 1w8l; AC1L9MR1; SCHEMBL4309663; ZINC389643; DB01742
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) 141.21
Logarithm of the Partition Coefficient (xlogp) 1
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C8H15NO
IUPAC Name
1-[(3R)-3-methylpiperidin-1-yl]ethanone
Canonical SMILES
C[C@@H]1CCCN(C1)C(=O)C
InChI
InChI=1S/C8H15NO/c1-7-4-3-5-9(6-7)8(2)10/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKey
XKFPNHDGLSYZRC-SSDOTTSWSA-N
Cross-matching ID
PubChem CID
449120
DrugBank ID
DB01742
TTD ID
D0DQ4D

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]
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.