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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2443026
CHEMBL2443026
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C31H38N4O7

Additional synonyms for CHEMBL2443026 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)c1ccc(Oc2cc(O)cc(O)c2c3onc(c3)C(=O)NC4CCN(CC4)C5CCC6(CC ...
Download SMILES
Standard InChI InChI=1S/C31H38N4O7/c1-34(2)21-3-5-24(6-4-21)41-27-18-23(36) ...
Download InChI
Standard InChI Key DPZWKZQIGWCTDT-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2443026

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
578.7 578.274 4.49 7 129.76 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 3 1 11 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.78 8.55 4.38 2.6 3 42 0.37

Structural Alerts

There are 1 structural alerts for CHEMBL2443026. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DPZWKZQIGWCTDT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2443026



BindingDB 50442757
IBM Patent System B0E08060EF3DF4E65DC756B7D74D893E
SureChEMBL SCHEMBL7890887
ZINC ZINC000068247155

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