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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1979636
CHEMBL1979636
Compound Name FUCHSIN, BASIC
ChEMBL Synonyms FUCHSIN, BASIC
Max Phase 0
Trade Names
Molecular Formula C20H20ClN3

Additional synonyms for CHEMBL1979636 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.Cc1cc(ccc1N)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3
Standard InChI InChI=1S/C20H19N3.ClH/c1-13-12-16(6-11-19(13)23)20(14-2-7-17 ...
Download InChI
Standard InChI Key NIKFYOSELWJIOF-SVFFXJIWSA-N

Sources

  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1979636

Molecule Features

CHEMBL1979636 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:Unknown

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 CHEMBL1979636. 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
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.343
CHEMBL2487 Beta amyloid A4 protein Homo sapiens 0.290
CHEMBL2781 Sodium/hydrogen exchanger 1 Homo sapiens 0.277
CHEMBL3638344 Genome polyprotein Hepatitis C virus genotype 1a (isolate H) (HCV) 0.222

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2487 Beta amyloid A4 protein Homo sapiens 0.649
CHEMBL1741221 Cysteine protease ATG4B Homo sapiens 0.544
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.518
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.464
CHEMBL6152 Alpha-synuclein Homo sapiens 0.207

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
301.4 301.1579 4.11 2 75.89 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 3 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.81 -.4 -.52 2 23 0.73

Structural Alerts

There are 9 structural alerts for CHEMBL1979636. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NIKFYOSELWJIOF-SVFFXJIWSA-N
PubChem SID: 144205841 SID: 144209988 SID: 552928

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1979636



ChEBI 87665
ChemicalBook CB7249789
eMolecules 6186826 475545
EPA CompTox Dashboard DTXSID6021246
FDA SRS 8UUC89LHB2
KEGG Ligand C19252
MolPort MolPort-003-895-001
SureChEMBL SCHEMBL23402

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