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
CAS Number
143257-97-0
TTD ID
D0K9TC

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.