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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2398815
CHEMBL2398815
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C40H38N2O8

Additional synonyms for CHEMBL2398815 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@]12CO[C@H](O[C@H]1CC[C@@]3(C)[C@H]2C[C@H](OC(=O)c4ccc(c ...
Download SMILES
Standard InChI InChI=1S/C40H38N2O8/c1-38-16-15-30-39(2,22-46-37(49-30)25-8- ...
Download InChI
Standard InChI Key OLMLXIHADMDRSC-WVGFPPCDSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2398815

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
674.8 674.2628 6.54 4 141.11 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 1 2 10 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.7 5.01 6.52 6.52 4 50 0.24

Structural Alerts

There are 3 structural alerts for CHEMBL2398815. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OLMLXIHADMDRSC-WVGFPPCDSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2398815



BindingDB 50436344
Brenda 210027
Nikkaji J3.220.734K
PubChem 71682045
ZINC ZINC000068150011

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