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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL363286
CHEMBL363286
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C38H50N6O7

Additional synonyms for CHEMBL363286 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1cccc(c1) ...
Download SMILES
Standard InChI InChI=1S/C38H50N6O7/c1-23(2)18-30(35(39)47)42-36(48)25(5)41- ...
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Standard InChI Key UGESQUIYSVISDX-BPEUDQIESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL363286

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
702.9 702.3741 2.48 19 201.84 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 6 2 13 7 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.13 2.48 4.5 4.49 3 51 0.11

Structural Alerts

There are 2 structural alerts for CHEMBL363286. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UGESQUIYSVISDX-BPEUDQIESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL363286



BindingDB 50169106
Brenda 13973
PubChem 11399816
PubChem: Thomson Pharma 16494660
ZINC ZINC000028469104

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