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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1214124
CHEMBL1214124
Compound Name PERAMPANEL
ChEMBL Synonyms PERAMPANEL | E2007 | E-2007 | ER-155055-90 | FYCOMPA
Max Phase 4 (Approved)
Trade Names FYCOMPA
Molecular Formula C23H15N3O

Additional synonyms for CHEMBL1214124 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1N(C=C(C=C1c2ccccc2C#N)c3ccccn3)c4ccccc4
Standard InChI InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6 ...
Download InChI
Standard InChI Key PRMWGUBFXWROHD-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1214124

Molecule Features

CHEMBL1214124 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Glutamate receptor ionotropic AMPA antagonist Glutamate receptor ionotropic AMPA Expert

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Depressive DisorderD003866EFO:0003761unipolar depression1ClinicalTrials
Parkinson DiseaseD010300EFO:0002508Parkinson's disease3ClinicalTrials
Amyotrophic Lateral SclerosisD000690EFO:0000253amyotrophic lateral sclerosis2ClinicalTrials
Diabetic NeuropathiesD003929EFO:1000783diabetic neuropathy2ClinicalTrials
Epilepsy, Tonic-ClonicD0048303ClinicalTrials
AlcoholismD000437EFO:0003829alcohol dependence2ClinicalTrials
EpilepsyD004827EFO:0000474epilepsy4ATC
ClinicalTrials
DailyMed
SeizuresD012640HP:0001250Seizures3ClinicalTrials
TorticollisD0141031ClinicalTrials
Essential TremorD020329EFO:0003108essential tremor2ClinicalTrials
Migraine DisordersD008881EFO:0003821migraine disorder2ClinicalTrials
Peripheral Nervous System DiseasesD010523EFO:0004149neuropathy2ClinicalTrials
Lennox Gastaut SyndromeD065768Orphanet:2382Lennox-Gastaut syndrome3ClinicalTrials
NeuralgiaD009437EFO:0005762neuropathic pain2ClinicalTrials

Clinical Data

ClinicalTrials.gov PERAMPANEL
The Cochrane Collaboration PERAMPANEL

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 CHEMBL1214124. 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
CHEMBL3649 Xanthine dehydrogenase Bos taurus 0.995
CHEMBL3227 Metabotropic glutamate receptor 5 Homo sapiens 0.953
CHEMBL2564 Metabotropic glutamate receptor 5 Rattus norvegicus 0.727
CHEMBL2169736 Tyrosyl-DNA phosphodiesterase 2 Homo sapiens 0.285
CHEMBL3772 Metabotropic glutamate receptor 1 Homo sapiens 0.228

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3649 Xanthine dehydrogenase Bos taurus 0.997
CHEMBL3227 Metabotropic glutamate receptor 5 Homo sapiens 0.983
CHEMBL2169736 Tyrosyl-DNA phosphodiesterase 2 Homo sapiens 0.937
CHEMBL3772 Metabotropic glutamate receptor 1 Homo sapiens 0.841
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.432
CHEMBL2564 Metabotropic glutamate receptor 5 Rattus norvegicus 0.391
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.297

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
349.4 349.1215 4.44 3 58.68 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.73 1.36 1.36 4 27 0.55

Structural Alerts

There are 1 structural alerts for CHEMBL1214124. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N03 - ANTIEPILEPTICS
N03A - ANTIEPILEPTICS
N03AX - Other antiepileptics
N03AX22 - perampanel

ChemSpider ChemSpider:PRMWGUBFXWROHD-UHFFFAOYSA-N
DailyMed perampanel
Wikipedia Perampanel

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1214124



ACToR 380917-97-5
BindingDB 50184410
ChEBI 71013
ChemicalBook CB12598797
DrugBank DB08883
DrugCentral 4684
EPA CompTox Dashboard DTXSID80191501
FDA SRS H821664NPK
Guide to Pharmacology 7050
IBM Patent System 3CE4041CDA26AF2A644E1A42F0A5E469
LINCS LSM-45792
MolPort MolPort-035-395-270
Nikkaji J2.400.987D
PDBe 6ZP
PubChem 9924495
PubChem: Drugs of the Future 136349971
PubChem: Thomson Pharma 14896254
SureChEMBL SCHEMBL194370
ZINC ZINC000030691797

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