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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL264770
CHEMBL264770
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C38H50N6O7

Additional synonyms for CHEMBL264770 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](COCc1ccc(cc1) ...
Download SMILES
Standard InChI InChI=1S/C38H50N6O7/c1-23(2)19-30(35(39)47)42-36(48)25(5)41- ...
Download InChI
Standard InChI Key QKKFVNTVXVXCPQ-BPEUDQIESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL264770

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 CHEMBL264770. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QKKFVNTVXVXCPQ-BPEUDQIESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL264770



BindingDB 50169098
Brenda 13962
PubChem 11285489
PubChem: Thomson Pharma 16372356
ZINC ZINC000009293867

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