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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL495502
CHEMBL495502
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H32N4O4

Additional synonyms for CHEMBL495502 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1C[C@@](CC(=O)NO)(C[C@H](C)N1)NC(=O)c2ccc(OCc3cc(C)nc ...
Download SMILES
Standard InChI InChI=1S/C27H32N4O4/c1-17-12-21(23-6-4-5-7-24(23)29-17)16-35 ...
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Standard InChI Key OBBSDCUMPDPHQF-BEEZEEGUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL495502

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
476.6 476.2424 3.65 7 112.58 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 4 0 8 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.25 10.15 4.19 1.74 3 35 0.31

Structural Alerts

There are 6 structural alerts for CHEMBL495502. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OBBSDCUMPDPHQF-BEEZEEGUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL495502



BindingDB 50265114
PubChem: Thomson Pharma 15332242
SureChEMBL SCHEMBL6597239
ZINC ZINC000101208989

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