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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL153385
CHEMBL153385
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H24N6O2

Additional synonyms for CHEMBL153385 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCn1nc(CC)c(C(=O)O)c1Cc2ccc(cc2)c3ccccc3c4nn[nH]n4
Standard InChI InChI=1S/C23H24N6O2/c1-3-13-29-20(21(23(30)31)19(4-2)26-29)1 ...
Download InChI
Standard InChI Key QYTPZZTZALRBLH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL153385

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
416.5 416.1961 3.99 8 109.58 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.26 3.34 5.17 1.04 4 31 0.45

Structural Alerts

There are no structural alerts for CHEMBL153385

Compound Cross References

ChemSpider ChemSpider:QYTPZZTZALRBLH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL153385



IBM Patent System 1AE13C66445C3DD62EFADDCCBC599462
PubChem 11742640
PubChem: Thomson Pharma 16849232
SureChEMBL SCHEMBL9055768
ZINC ZINC000013760996

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