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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2206824
CHEMBL2206824
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H24BrN3O3

Additional synonyms for CHEMBL2206824 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@H]1CN[C@H](CN[C@@H](CNC(=O)c2ccccc2Br)c3ccccc3)[C@H]1O
Standard InChI InChI=1S/C20H24BrN3O3/c21-15-9-5-4-8-14(15)20(27)24-10-16(13 ...
Download InChI
Standard InChI Key FSSLVXRVIVHSCK-ZSYWTGECSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2206824

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
434.3 433.1001 1.43 7 93.62 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 5 0 6 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.53 9.12 1.18 -.62 2 27 0.46

Structural Alerts

There are 3 structural alerts for CHEMBL2206824. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FSSLVXRVIVHSCK-ZSYWTGECSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2206824



BindingDB 50402966
Nikkaji J2.393.212A
PubChem 16104237
PubChem: Thomson Pharma 24751018
ZINC ZINC000035240833

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