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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL510893
CHEMBL510893
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H22N7OP

Additional synonyms for CHEMBL510893 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc2[nH]ncc2c1\C=C\n3cnc4c(Nc5ccc(cc5)P(=O)(C)C)ncnc34
Standard InChI InChI=1S/C23H22N7OP/c1-15-4-9-20-19(12-27-29-20)18(15)10-11- ...
Download InChI
Standard InChI Key UNPSONVHRMUXFE-ZHACJKMWSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL510893

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
443.5 443.1623 4.63 5 101.38 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.71 2.19 3.42 3.42 5 32 0.38

Structural Alerts

There are 2 structural alerts for CHEMBL510893. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UNPSONVHRMUXFE-ZHACJKMWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL510893



BindingDB 50244569
Brenda 25667
PDBe B90
PubChem 44517648
SureChEMBL SCHEMBL4136988

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