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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL251835
CHEMBL251835
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H27BrN6O2

Additional synonyms for CHEMBL251835 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc3c(Br)[nH]c4cccc2c34)C(=O)N5CCN(CC ...
Download SMILES
Standard InChI InChI=1S/C26H27BrN6O2/c1-31-14-15(11-18-17-3-2-4-21-24(17)19 ...
Download InChI
Standard InChI Key GZFMZJDVLOZLLL-OMXJDXKCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL251835

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
535.5 534.1379 3.78 2 81.5 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.21 2.08 1.82 4 35 0.42

Structural Alerts

There are 2 structural alerts for CHEMBL251835. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GZFMZJDVLOZLLL-OMXJDXKCSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL251835



BindingDB 50423462
PubChem 44447073
ZINC ZINC000029038760

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