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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2390976
CHEMBL2390976
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H23Cl2N5O

Additional synonyms for CHEMBL2390976 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(nc(NC[C@H](NC(=O)Cc2ccccc2)c3ccccc3)c1Cl)c4ccc(Cl)cn4
Standard InChI InChI=1S/C26H23Cl2N5O/c1-17-24(28)26(33-25(31-17)21-13-12-20 ...
Download InChI
Standard InChI Key BIUBUFSWUJIKQR-QFIPXVFZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2390976

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
492.4 491.128 5.67 8 79.8 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 1 6 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.37 5.68 5.68 4 34 0.33

Structural Alerts

There are no structural alerts for CHEMBL2390976

Compound Cross References

ChemSpider ChemSpider:BIUBUFSWUJIKQR-QFIPXVFZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2390976



BindingDB 50435203
PubChem 71602460
PubChem: Thomson Pharma 163683577
ZINC ZINC000096271222

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