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Compound Detail

CHEMBL23040

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CN[C@@H](C)[C@H](O)c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL23040
Phase Preclinical
Structure Type MOL
InChI Key DDBFLXGTCAVAFD-WKEGUHRASA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

197.2
MW (Da)
0.74
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H15NO3
MW 197.23
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 1.18

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
7328589 10.1021/jm00142a027 Adrenergic receptor alpha-1 1

Data from ChEMBL 36 via Core Engine