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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2392914
CHEMBL2392914
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H25Cl2N5O

Additional synonyms for CHEMBL2392914 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(nc(NC[C@H](NC(=O)CCc2ccccc2)c3ccccc3)c1Cl)c4ccc(Cl)cn4
Standard InChI InChI=1S/C27H25Cl2N5O/c1-18-25(29)27(34-26(32-18)22-14-13-21 ...
Download InChI
Standard InChI Key IWPKHWAHQNLSRO-QHCPKHFHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2392914

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
506.4 505.1436 6.06 9 79.8 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.37 6.29 6.29 4 35 0.29

Structural Alerts

There are 1 structural alerts for CHEMBL2392914. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IWPKHWAHQNLSRO-QHCPKHFHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2392914



BindingDB 50435202
PubChem 71602588
PubChem: Thomson Pharma 163683723
ZINC ZINC000096271221

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