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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL31354
CHEMBL31354
Compound Name WAY-100,635
ChEMBL Synonyms WAY-100635
Max Phase 0
Trade Names
Molecular Formula C25H34N4O2

Additional synonyms for CHEMBL31354 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccccc1N2CCN(CCN(C(=O)C3CCCCC3)c4ccccn4)CC2
Standard InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16- ...
Download InChI
Standard InChI Key SBPRIAGPYFYCRT-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL31354

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 4.42 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 4.14 2 31 0.66

Structural Alerts

There are no structural alerts for CHEMBL31354

Compound Cross References

ChemSpider ChemSpider:SBPRIAGPYFYCRT-UHFFFAOYSA-N
PubChem SID: 11111964 SID: 90340807
Wikipedia WAY-100,635

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL31354



BindingDB 86708
Brenda 147741
ChEBI 125619
eMolecules 36759656
EPA CompTox Dashboard DTXSID20167467
FDA SRS 71IH826FEG
Guide to Pharmacology 3251 80
IBM Patent System 30741327B2F46395AEB17BC8E1679620
LINCS LSM-37173
Nikkaji J607.982B
PubChem 5684
PubChem: Thomson Pharma 14856089
SureChEMBL SCHEMBL84178
ZINC ZINC000052541473

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