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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL465026
CHEMBL465026
Compound Name NEFOPAM
ChEMBL Synonyms NEFOPAM HYDROCHLORIDE | ACUPAN | NEFOPAM
Max Phase 4 (Approved)
Trade Names ACUPAN
Molecular Formula C17H19NO

Additional synonyms for CHEMBL465026 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCOC(c2ccccc2)c3ccccc3C1
Standard InChI InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6- ...
Download InChI
Standard InChI Key RGPDEAGGEXEMMM-UHFFFAOYSA-N

Sources

  • British National Formulary
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL465026

Molecule Features

CHEMBL465026 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
PainD010146EFO:0003843pain4ATC
FeverD005334HP:0001945fever4ATC
Stomach NeoplasmsD013274EFO:0000178gastric carcinoma3ClinicalTrials

Clinical Data

ClinicalTrials.gov NEFOPAM
The Cochrane Collaboration NEFOPAM

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL465026. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 0.998
CHEMBL222 Norepinephrine transporter Homo sapiens 0.976
CHEMBL228 Serotonin transporter Homo sapiens 0.946
CHEMBL2056 Dopamine D1 receptor Homo sapiens 0.929
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.923
CHEMBL304 Norepinephrine transporter Rattus norvegicus 0.914
CHEMBL313 Serotonin transporter Rattus norvegicus 0.865
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.806
CHEMBL238 Dopamine transporter Homo sapiens 0.753
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.510
CHEMBL3045 Protein kinase C beta Homo sapiens 0.456
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.223



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 0.998
CHEMBL222 Norepinephrine transporter Homo sapiens 0.993
CHEMBL228 Serotonin transporter Homo sapiens 0.988
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.987
CHEMBL238 Dopamine transporter Homo sapiens 0.972
CHEMBL1850 Dopamine D5 receptor Homo sapiens 0.965
CHEMBL2056 Dopamine D1 receptor Homo sapiens 0.926
CHEMBL313 Serotonin transporter Rattus norvegicus 0.856
CHEMBL304 Norepinephrine transporter Rattus norvegicus 0.801
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.618
CHEMBL3045 Protein kinase C beta Homo sapiens 0.361
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.304
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.243
CHEMBL287 Sigma opioid receptor Homo sapiens 0.227
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.211

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
253.4 253.1467 3.24 1 12.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.16 1.91 .16 2 19 0.77

Structural Alerts

There are no structural alerts for CHEMBL465026

Compound Cross References

ATC N - NERVOUS SYSTEM
N02 - ANALGESICS
N02B - OTHER ANALGESICS AND ANTIPYRETICS
N02BG - Other analgesics and antipyretics
N02BG06 - nefopam

ChemSpider ChemSpider:RGPDEAGGEXEMMM-UHFFFAOYSA-N
PubChem SID: 26748505

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL465026



ACToR 13669-70-0
ChEBI 88318
DrugBank DB12293
DrugCentral 1891
eMolecules 1238321
EPA CompTox Dashboard DTXSID2048535
IBM Patent System 3830073FE861EFA2F58FF7454E16D361
LINCS LSM-1811
Mcule MCULE-2635908358
MolPort MolPort-001-937-629
Nikkaji J8.442E
PubChem 4450
PubChem: Thomson Pharma 14774413
SureChEMBL SCHEMBL23646

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/RGPDEAGGEXEMMM-UHFFFAOYSA-N spacer
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