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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL354077
CHEMBL354077
Compound Name AMIFAMPRIDINE
ChEMBL Synonyms 3,4-DAPP | 4-DAP | DAP | AMIFAMPRIDINE | DAPP | Pyridine-3,4-Diamine | AMIFAMPRIDINE PHOSPHATE | 3,4-Diammoniopyridinium
Max Phase 4 (Approved)
Trade Names
Molecular Formula C5H7N3

Additional synonyms for CHEMBL354077 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccncc1N
Standard InChI InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)
Standard InChI Key OYTKINVCDFNREN-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL354077

Molecule Features

CHEMBL354077 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov AMIFAMPRIDINE
The Cochrane Collaboration AMIFAMPRIDINE

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
109.1 109.064 -0.81 0 64.92 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.17 -.34 -1.67 1 8 0.46

Structural Alerts

There are 1 structural alerts for CHEMBL354077. 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
N07XX05 - amifampridine

ChemSpider ChemSpider:OYTKINVCDFNREN-UHFFFAOYSA-N
PubChem SID: 144206108 SID: 170466846 SID: 50112814 SID: 51088028 SID: 56323425
Wikipedia 3,4-Diaminopyridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL354077



ACToR 54-96-6
BindingDB 50416493
ChEBI 135948
DrugCentral 4336
eMolecules 498389
EPA CompTox Dashboard DTXSID6046715
FDA SRS RU4S6E2G0J
Guide to Pharmacology 8032
IBM Patent System A212AC8E2965DBCD624E9DA2EE3F115D
Mcule MCULE-5478459845
MolPort MolPort-000-139-949
Nikkaji J51.295H
NMRShiftDB 10017792
PDBe L89
PubChem 5918
PubChem: Thomson Pharma 15170514
SureChEMBL SCHEMBL21273
ZINC ZINC000000164000

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