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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2092846
CHEMBL2092846
Compound Name (1S,2R)-PHENYLPROPANOLAMINE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H13NO

Additional synonyms for CHEMBL2092846 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](N)[C@@H](O)c1ccccc1
Standard InChI InChI=1S/C9H13NO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9,11H,10H2, ...
Download InChI
Standard InChI Key DLNKOYKMWOXYQA-VXNVDRBHSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2092846

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
151.2 151.0997 1.07 2 46.25 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 2 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.06 8.47 .36 -1.52 1 11 0.66

Structural Alerts

There are no structural alerts for CHEMBL2092846

Compound Cross References

ChemSpider ChemSpider:DLNKOYKMWOXYQA-VXNVDRBHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2092846



ACToR 134-60-1 37577-28-9 16960-27-3
BindingDB 50405613
Brenda 107660
ChEBI 36
DrugBank DB00397
eMolecules 497249
FDA SRS 7875H6443P
Human Metabolome Database HMDB0001942
IBM Patent System 417379CD7B8341343CF72A23625C2A3A
KEGG Ligand C02343
LINCS LSM-5416
Nikkaji J81.939E
PharmGKB PA164748965
PubChem 26934
PubChem: Thomson Pharma 16214245
SureChEMBL SCHEMBL26905
ZINC ZINC000000001930

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