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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL264524
CHEMBL264524
Compound Name
ChEMBL Synonyms U-77,436
Max Phase 0
Trade Names
Molecular Formula C50H76N10O11

Additional synonyms for CHEMBL264524 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C ...
Download SMILES
Standard InChI InChI=1S/C50H76N10O11/c1-8-33(6)43(47(68)52-26-36-17-12-13-2 ...
Download InChI
Standard InChI Key MLWGQBSRGOGMDI-FPOVYNMLSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL264524

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
993.2 992.5695 0.43 27 305.59 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 10 3 21 10 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.87 6.71 -1 -1.08 3 71 0.04

Structural Alerts

There are 4 structural alerts for CHEMBL264524. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MLWGQBSRGOGMDI-FPOVYNMLSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL264524



BindingDB 50012322
PubChem 44307374

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