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Compound Detail

CHEMBL304725

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Cc1ccc(OC[C@@H](O)[C@H]2CCCCN2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL304725
Phase Preclinical
Structure Type MOL
InChI Key XEHSYSYFUMPVBX-ZIAGYGMSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

235.3
MW (Da)
1.88
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H21NO2
MW 235.33
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.20

Literature References

PubMed DOI Target Context # Activities
2903245 10.1021/jm00119a011 Beta-1 adrenergic receptor 1
2903245 10.1021/jm00119a011 Beta-2 adrenergic receptor 1
2903245 10.1021/jm00119a011 Unchecked 1

Data from ChEMBL 36 via Core Engine