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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL274384
CHEMBL274384
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H24BrN3O

Additional synonyms for CHEMBL274384 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)C(=O)[C@H]1CN(C)[C@@H]2Cc3c(Br)[nH]c4cccc(C2=C1)c34
Standard InChI InChI=1S/C20H24BrN3O/c1-4-24(5-2)20(25)12-9-14-13-7-6-8-16-1 ...
Download InChI
Standard InChI Key VKRAXSZEDRWLAG-SJKOYZFVSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL274384

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
402.3 401.1103 3.67 3 39.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.91 3.26 3.12 2 25 0.85

Structural Alerts

There are 2 structural alerts for CHEMBL274384. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VKRAXSZEDRWLAG-SJKOYZFVSA-N
Wikipedia 2-Bromo-LSD

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL274384



BindingDB 50130269
Brenda 48263 108746 43101
ChemicalBook CB91339739
FDA SRS JUA77QEU32
Guide to Pharmacology 272
IBM Patent System A0B0930F35FE4910191E71E840F520F8
Nikkaji J6.151D
PubChem 10171
PubChem: Thomson Pharma 16454081
SureChEMBL SCHEMBL1883414
ZINC ZINC000013531276

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