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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2392921
CHEMBL2392921
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H29Cl2N5

Additional synonyms for CHEMBL2392921 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(nc(NC[C@H](NCCCCc2ccccc2)c3ccccc3)c1Cl)c4ccc(Cl)cn4
Standard InChI InChI=1S/C28H29Cl2N5/c1-20-26(30)28(35-27(34-20)24-16-15-23( ...
Download InChI
Standard InChI Key UZZVALJVPJZKDU-VWLOTQADSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2392921

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
506.5 505.18 6.92 11 62.73 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 2 5 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.65 7.26 6.13 4 35 0.22

Structural Alerts

There are 2 structural alerts for CHEMBL2392921. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UZZVALJVPJZKDU-VWLOTQADSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2392921



BindingDB 50435195
Brenda 199447 199445
Nikkaji J3.183.932G
PDBe 1AY
PubChem 71602590
PubChem: Thomson Pharma 163683725
ZINC ZINC000096271214

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