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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2392924
CHEMBL2392924
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H29Cl2N5O

Additional synonyms for CHEMBL2392924 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(nc(NC[C@H](NCCCCc2ccc(O)cc2)c3ccccc3)c1Cl)c4ccc(Cl)cn4
Standard InChI InChI=1S/C28H29Cl2N5O/c1-19-26(30)28(35-27(34-19)24-15-12-22 ...
Download InChI
Standard InChI Key LWZQVTFKRIYOLA-VWLOTQADSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2392924

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
522.5 521.1749 6.63 11 82.96 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 2 6 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.14 8.66 6.61 5.47 4 36 0.19

Structural Alerts

There are 2 structural alerts for CHEMBL2392924. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LWZQVTFKRIYOLA-VWLOTQADSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2392924



BindingDB 50435192
PubChem 71602693
PubChem: Thomson Pharma 163683860
ZINC ZINC000096271211

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