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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL42280
CHEMBL42280
Compound Name L-ADRENALINE
ChEMBL Synonyms L-adrenaline
Max Phase 0
Trade Names
Molecular Formula C9H13NO3

Additional synonyms for CHEMBL42280 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC[C@@H](O)c1ccc(O)c(O)c1
Standard InChI InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13 ...
Download InChI
Standard InChI Key UCTWMZQNUQWSLP-SECBINFHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL42280

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
183.2 183.0895 0.35 3 72.72 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.6 9.16 -.54 -2.37 1 13 0.51

Structural Alerts

There are 2 structural alerts for CHEMBL42280. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UCTWMZQNUQWSLP-SECBINFHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL42280



ACToR 150-05-0
BindingDB 50087512
ChEBI 40751
FDA SRS NA71GR3TNV
Guide to Pharmacology 4450
IBM Patent System 828C8447387210156FD94BC43C357B54
Metabolights MTBLC40751
MolPort MolPort-006-111-083
Nikkaji J10.982G
NMRShiftDB 20200051
PDBe XDE
PubChem 247704
PubChem: Thomson Pharma 22434655
SureChEMBL SCHEMBL11647
ZINC ZINC000000039090

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