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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2443139
CHEMBL2443139
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H30N4O5

Additional synonyms for CHEMBL2443139 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)Nc1ccc(Oc2cc(O)cc(O)c2c3onc(c3)C(=O)NC4CCN(C)CC4)cc1
Standard InChI InChI=1S/C25H30N4O5/c1-15(2)26-16-4-6-19(7-5-16)33-22-13-18( ...
Download InChI
Standard InChI Key PFINYWQVHGQFKS-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2443139

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
466.5 466.2216 4.19 7 120.09 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 0 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.05 5.67 2.92 1.3 3 34 0.41

Structural Alerts

There are 1 structural alerts for CHEMBL2443139. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PFINYWQVHGQFKS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2443139



BindingDB 50442758
IBM Patent System 59B8562373ADFA61F0AE3C658728E38C
SureChEMBL SCHEMBL655249
ZINC ZINC000096286428

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