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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL537403
CHEMBL537403
Compound Name
ChEMBL Synonyms WAY-100635
Max Phase 0
Trade Names
Molecular Formula C25H37Cl3N4O2

Additional synonyms for CHEMBL537403 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.Cl.Cl.COc1ccccc1N2CCN(CCN(C(=O)C3CCCCC3)c4ccccn4)CC2
Standard InChI InChI=1S/C25H34N4O2.3ClH/c1-31-23-12-6-5-11-22(23)28-18-15-2 ...
Download InChI
Standard InChI Key QDUDBLVWOSYWID-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL537403

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
422.6 422.2682 3.83 7 48.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.84 4.32 4.13 2 31 0.68

Structural Alerts

There are no structural alerts for CHEMBL537403

Compound Cross References

ChemSpider ChemSpider:QDUDBLVWOSYWID-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL537403



ACToR 146714-97-8
eMolecules 36366884
EPA CompTox Dashboard DTXSID50163457
FDA SRS 8S48P899NE
PubChem 60210035 104911
PubChem: Thomson Pharma 14861034
Selleck way-100635
SureChEMBL SCHEMBL194436

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