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

Topological Polar Surface Area (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)

MIA Detail

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)

MEA Detail

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.
3	Buprenorphine is a weak partial agonist that inhibits opioid receptor desensitization. J Neurosci. 2009 Jun 3;29(22):7341-8.
4	Antianalgesia: stereoselective action of dextro-morphine over levo-morphine on glia in the mouse spinal cord.J Pharmacol Exp Ther.2005 Sep;314(3):1101-8.
5	Clinical pipeline report, company report or official report of signaturerx.
6	2008 FDA drug approvals. Nat Rev Drug Discov. 2009 Feb;8(2):93-6.
7	The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.
8	Concentration-effect relationship of intravenous alfentanil and ketamine on peripheral neurosensory thresholds, allodynia and hyperalgesia of neuropathic pain. Pain. 2001 Mar;91(1-2):177-87.
9	2014 FDA drug approvals. Nat Rev Drug Discov. 2015 Feb;14(2):77-81.
10	Molecular characterization of eluxadoline as a potential ligand targeting mu-delta opioid receptor heteromers.Biochem Pharmacol.2014 Dec 1;92(3):448-56.
11	Drug design and synthesis of a novel kappa opioid receptor agonist with an oxabicyclo[2.2.2]octane skeleton and its pharmacology. Bioorg Med Chem Lett. 2010 Jan 1;20(1):121-4.
12	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. (Target id: 319).