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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL28278
CHEMBL28278
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H13NO2

Additional synonyms for CHEMBL28278 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(N)Cc1ccc(O)c(O)c1
Standard InChI InChI=1S/C9H13NO2/c1-6(10)4-7-2-3-8(11)9(12)5-7/h2-3,5-6,11- ...
Download InChI
Standard InChI Key KSRGADMGIRTXAF-UHFFFAOYSA-N

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL28278

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
167.2 167.0946 1.15 0 2 No Yes BASE


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
9.7 10.09 .4 -2.02 1 12 1 0.58

Compound Cross References

ChemSpider ChemSpider:KSRGADMGIRTXAF-UHFFFAOYSA-N
Wikipedia Alpha-Methyldopamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL28278



IBM Patent System 2FCEE1E09E6BF712445AE911BF44E2E0
PubChem: Thomson Pharma 15147118
PubChem 17005

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