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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL284348
CHEMBL284348
Compound Name DALFAMPRIDINE
ChEMBL Synonyms Dalfampridine | NEURELAN | AMPYRA | FAMPRIDINE | EL-970 | Ampyra Extended Release
Max Phase 4 (Approved)
Trade Names Ampyra Extended Release | AMPYRA | NEURELAN
Molecular Formula C5H6N2

Additional synonyms for CHEMBL284348 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccncc1
Standard InChI InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)
Standard InChI Key NUKYPUAOHBNCPY-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL284348

Molecule Features

CHEMBL284348 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:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Voltage-gated potassium channel blocker Voltage-gated potassium channel FDA PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
STROKED020521EFO:0000712STROKE3ClinicalTrials
MULTIPLE SCLEROSISD009103EFO:0003885MULTIPLE SCLEROSIS4DailyMed
ClinicalTrials
CEREBRAL PALSYD002547EFO:1000632CEREBRAL PALSY1ClinicalTrials
SLEEP APNEA, OBSTRUCTIVED020181EFO:0003918OBSTRUCTIVE SLEEP APNEA2ClinicalTrials
PARKINSON DISEASED010300EFO:0002508PARKINSON'S DISEASE1ClinicalTrials
RENAL INSUFFICIENCYD051437HP:0000083RENAL INSUFFICIENCY1ClinicalTrials
MUSCULAR ATROPHY, SPINALD009134Orphanet:83419PROXIMAL SPINAL MUSCULAR ATROPHY TYPE 32ClinicalTrials

Clinical Data

ClinicalTrials.gov DALFAMPRIDINE
The Cochrane Collaboration DALFAMPRIDINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
94.1 94.0531 -0.07 0 38.9 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.26 .34 -1.43 1 7 0.49

Structural Alerts

There are 1 structural alerts for CHEMBL284348. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N07 - OTHER NERVOUS SYSTEM DRUGS
N07X - OTHER NERVOUS SYSTEM DRUGS
N07XX - Other nervous system drugs
N07XX07 - fampridine

ChemSpider ChemSpider:NUKYPUAOHBNCPY-UHFFFAOYSA-N
DailyMed dalfampridine
PubChem SID: 104171097 SID: 11110683 SID: 11113806 SID: 124879040 SID: 124879042 SID: 136964060 SID: 144203616 SID: 144207991 SID: 170466526 SID: 26747141 SID: 26751980 SID: 26751983 SID: 50104658 SID: 8139900 SID: 90341267
Wikipedia 4-Aminopyridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL284348



ACToR 504-24-5
BindingDB 10458
Brenda 13387
ChEBI 34385
DrugBank DB06637
DrugCentral 4163
eMolecules 477195
EPA CompTox Dashboard DTXSID0023870
FDA SRS BH3B64OKL9
Guide to Pharmacology 2416
IBM Patent System 80C2E0E09AE58F6ED5609E8DA8400785 B355A048BF381B4FA9B0266C6BC74D60
KEGG Ligand C13728
Mcule MCULE-6604546217
MolPort MolPort-000-146-022
Nikkaji J270.956B J1.568G
NMRShiftDB 10008866
PharmGKB PA166123389
PubChem 1727
PubChem: Drugs of the Future 12014686
PubChem: Thomson Pharma 15194226
SureChEMBL SCHEMBL53483
ZINC ZINC000000599985

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