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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL109380
CHEMBL109380
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C40H62N8O7

Additional synonyms for CHEMBL109380 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](C ...
Download SMILES
Standard InChI InChI=1S/C40H62N8O7/c1-8-24(2)34(38(53)43-23-29-22-42-26(4)4 ...
Download InChI
Standard InChI Key ROYKKXNENWERFL-ZJEVERBASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL109380

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
767 766.4741 3.36 18 226.76 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 7 2 15 8 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.3 5.71 4.73 4.72 2 55 0.12

Structural Alerts

There are 5 structural alerts for CHEMBL109380. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ROYKKXNENWERFL-ZJEVERBASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL109380



BindingDB 50010424
Nikkaji J449.538A
PubChem 15109747
ZINC ZINC000095546280

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