Details of the Drug

General Information of Drug (ID: DM5SWI1)

Drug Name
[3H]4NMPB
Synonyms [3H](1-methyl-4-piperidyl) 2-hydroxy-2,2-diphenyl-acetate; [3H]1-Methyl-4-piperidyl diphenylglycolate; [3H]enpiperate
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) 325.4
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H23NO3
IUPAC Name
(1-methylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate
Canonical SMILES
CN1CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H23NO3/c1-21-14-12-18(13-15-21)24-19(22)20(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,23H,12-15H2,1H3
InChIKey
UGYPGJCVNPPUPE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
77157
ChEBI ID
CHEMBL143228
CAS Number
3608-67-1
TTD ID
D0Q2VN
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Muscarinic acetylcholine receptor (CHRM) TTOXS3C NOUNIPROTAC Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 352).
2 Cloned M1 muscarinic receptors mediate both adenylate cyclase inhibition and phosphoinositide turnover. EMBO J. 1988 Oct;7(10):3031-5.