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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1707454
CHEMBL1707454
Compound Name SCARLET RED
ChEMBL Synonyms BIEBRICH SCARLET RED | SCARLET RED
Max Phase 2
Trade Names
Molecular Formula C24H20N4O

Additional synonyms for CHEMBL1707454 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccccc1N=Nc2ccc(N=Nc3c(O)ccc4ccccc34)c(C)c2
Standard InChI InChI=1S/C24H20N4O/c1-16-7-3-6-10-21(16)26-25-19-12-13-22(17 ...
Download InChI
Standard InChI Key RCTGMCJBQGBLKT-PAMTUDGESA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1707454

Molecule Features

CHEMBL1707454 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov SCARLET RED
The Cochrane Collaboration SCARLET RED

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 CHEMBL1707454. 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
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 1.000
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.994
CHEMBL3687 Arachidonate 12-lipoxygenase Homo sapiens 0.984
CHEMBL269 Delta opioid receptor Rattus norvegicus 0.861
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.724
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.580
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.211



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 1.000
CHEMBL3687 Arachidonate 12-lipoxygenase Homo sapiens 1.000
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.988
CHEMBL1293287 Insulin-degrading enzyme Homo sapiens 0.944
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.913
CHEMBL3194 Transthyretin Homo sapiens 0.883
CHEMBL4361 Induced myeloid leukemia cell differentiation protein Mcl-1 Homo sapiens 0.859
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.844
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.835
CHEMBL1741221 Cysteine protease ATG4B Homo sapiens 0.696
CHEMBL3880 Heat shock protein HSP 90-alpha Homo sapiens 0.664
CHEMBL1864 Thrombopoietin receptor Homo sapiens 0.626
CHEMBL5514 Huntingtin Homo sapiens 0.586
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.552
CHEMBL269 Delta opioid receptor Rattus norvegicus 0.528
CHEMBL5508 Dual specificity tyrosine-phosphorylation-regulated kinase 1A Rattus norvegicus 0.520
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.513
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.491
CHEMBL1741176 X-box-binding protein 1 Homo sapiens 0.414
CHEMBL2392 DNA polymerase beta Homo sapiens 0.317

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
380.5 380.1637 7.99 4 69.67 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 1 5 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.52 - 6.87 6.87 4 29 0.36

Structural Alerts

There are 8 structural alerts for CHEMBL1707454. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RCTGMCJBQGBLKT-PAMTUDGESA-N
PubChem SID: 144205860 SID: 170465710 SID: 29217837 SID: 539817

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1707454



ACToR 85-83-6
ChemicalBook CB5264478
DrugCentral 3543
eMolecules 487691
EPA CompTox Dashboard DTXSID8041743
FDA SRS I35E9QU96C
KEGG Ligand C19520
Mcule MCULE-3761588523
MolPort MolPort-003-894-890
Nikkaji J3.888A
PubChem: Thomson Pharma 14853571
SureChEMBL SCHEMBL62339
ZINC ZINC000085205445

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