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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1940275
CHEMBL1940275
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H26N6O3

Additional synonyms for CHEMBL1940275 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2ncnc(Nc3ccc(CC(=O)Nc4cnn(c4)C(C)C)cc3)c2cc1OC
Standard InChI InChI=1S/C24H26N6O3/c1-15(2)30-13-18(12-27-30)28-23(31)9-16- ...
Download InChI
Standard InChI Key FQGHYVHLTQUXGX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1940275

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
446.5 446.2066 4.35 8 103.19 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 2 0 9 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.56 2.01 2 4 33 0.41

Structural Alerts

There are no structural alerts for CHEMBL1940275

Compound Cross References

ChemSpider ChemSpider:FQGHYVHLTQUXGX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1940275



BindingDB 50362090
PubChem 57401686
ZINC ZINC000073224399

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