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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL428244
CHEMBL428244
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H32N4O7

Additional synonyms for CHEMBL428244 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC[C@H](C)[C@H](NC(=O)C)C(=O)N[C@H]1CCc2cccc3C[C@H](N(C1=O)c ...
Download SMILES
Standard InChI InChI=1S/C25H32N4O7/c1-4-13(2)21(26-14(3)31)24(35)28-18-9-8- ...
Download InChI
Standard InChI Key PHKDXBRYQQCBAI-RUHZZDLRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL428244

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
500.5 500.2271 0.36 10 161.97 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 1 11 4 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.2 - .29 -2.8 1 36 0.34

Structural Alerts

There are 8 structural alerts for CHEMBL428244. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PHKDXBRYQQCBAI-RUHZZDLRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL428244



BindingDB 50374286
Brenda 14157
Nikkaji J1.773.031B
PubChem 44453610
ZINC ZINC000029126024

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