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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2043326
CHEMBL2043326
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C33H32N6O5

Additional synonyms for CHEMBL2043326 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(ncn1)N2C(=O)N(C(=O)C23CCN(Cc4ncccc4C)CC3)c5ccc(cc5)c6 ...
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Standard InChI InChI=1S/C33H32N6O5/c1-21-5-4-14-34-27(21)19-37-15-12-33(13- ...
Download InChI
Standard InChI Key DACGAATZKIWONI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2043326

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
592.7 592.2434 4.87 7 129.06 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 1 11 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.97 6.93 5.26 2.42 4 44 0.3

Structural Alerts

There are 1 structural alerts for CHEMBL2043326. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DACGAATZKIWONI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2043326



BindingDB 50385820
PubChem 49848896
PubChem: Thomson Pharma 104177182
SureChEMBL SCHEMBL2120049
ZINC ZINC000084710679

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