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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1234002
CHEMBL1234002
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H28Cl2N6O2

Additional synonyms for CHEMBL1234002 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)CCOc1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c4c(Cl)cccc4Cl)cc1
Standard InChI InChI=1S/C25H28Cl2N6O2/c1-4-32(5-2)13-14-35-19-11-9-18(10-12 ...
Download InChI
Standard InChI Key LQYPBKQMDVWUGO-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1234002

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
515.5 514.1651 5.82 9 73.83 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 2 8 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.66 4.34 2.14 3 35 0.39

Structural Alerts

There are no structural alerts for CHEMBL1234002

Compound Cross References

ChemSpider ChemSpider:LQYPBKQMDVWUGO-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1234002



BindingDB 50341376
IBM Patent System 6BFC92F3C2DE1D3F61A8F262C3880DC6
PDBe LHL
PubChem 22125070
PubChem: Thomson Pharma 163481714
SureChEMBL SCHEMBL6619817
ZINC ZINC000058639016

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