Details of the Drug

General Information of Drug (ID: DMEN6YO)

Drug Name
Sameridine
Synonyms
Sameridine; 143257-97-0; UNII-NQP2Y50Y6B; NQP2Y50Y6B; Sameridine [INN]; sameridine[inn]; AC1Q5ICP; SCHEMBL419071; AC1L24E2; CHEMBL2104504; DTXSID30162367; 4-Piperidinecarboxamide,N-ethyl-1-hexyl-N-methyl-4-phenyl-; ZINC3797855; AKOS015909863; N-Ethyl-1-hexyl-N-methyl-4-phenylisonipecotamide; I14-31849
Indication
Disease Entry ICD 11 Status REF
Pain MG30-MG3Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 330.5
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C21H34N2O
IUPAC Name
N-ethyl-1-hexyl-N-methyl-4-phenylpiperidine-4-carboxamide
Canonical SMILES
CCCCCCN1CCC(CC1)(C2=CC=CC=C2)C(=O)N(C)CC
InChI
InChI=1S/C21H34N2O/c1-4-6-7-11-16-23-17-14-21(15-18-23,20(24)22(3)5-2)19-12-9-8-10-13-19/h8-10,12-13H,4-7,11,14-18H2,1-3H3
InChIKey
TYWUGCGYWNSRPS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
65996
ChEBI ID
CHEMBL2104504
CAS Number
143257-97-0
TTD ID
D0K9TC
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Opioid receptor mu (MOP) TTKWM86 OPRM_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Pain
ICD Disease Classification MG30-MG3Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Opioid receptor mu (MOP) DTT OPRM1 5.94E-01 -0.02 -0.17
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800005282)
2 The effects on resting ventilation of intravenous infusions of morphine or sameridine, a novel molecule with both local anesthetic and opioid properties. Anesth Analg. 1999 Jan;88(1):160-5.