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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL354077
CHEMBL354077
Compound Name AMIFAMPRIDINE
ChEMBL Synonyms DAPP | 4-DAP | 3,4-DAPP | Amifampridine phosphate | Pyridine-3,4-Diamine | 3,4-Diammoniopyridinium | Amifampridine
Max Phase 3
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

Molecule Features

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

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 1 structural alerts for CHEMBL354077. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL354077

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
- 9.76 2.37 .08 1 8 0.46

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
eMolecules 498389
FDA SRS RU4S6E2G0J
Guide to Pharmacology 8032
IBM Patent System A212AC8E2965DBCD624E9DA2EE3F115D
Mcule MCULE-5478459845
MolPort MolPort-000-139-949
Nikkaji J51.295H
NMRShiftDB 10017792
PubChem 5918
PubChem: Thomson Pharma 15170514
SureChEMBL SCHEMBL21273

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