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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2392912
CHEMBL2392912
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H34ClN7O2

Additional synonyms for CHEMBL2392912 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccnc(c1)c2nc(C)c(Cl)c(NC[C@H](NC(=O)CCCN3CCNCC3)c4ccccc4 ...
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Standard InChI InChI=1S/C27H34ClN7O2/c1-19-25(28)27(34-26(32-19)22-17-21(37 ...
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Standard InChI Key PWPQIEUUVHPJDV-QHCPKHFHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2392912

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
524.1 523.2463 3.46 11 104.3 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 1 9 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.21 2.88 1.06 3 37 0.35

Structural Alerts

There are 1 structural alerts for CHEMBL2392912. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PWPQIEUUVHPJDV-QHCPKHFHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2392912



BindingDB 50435205
PubChem 71602394
PubChem: Thomson Pharma 163683499
ZINC ZINC000096271224

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