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Compound Detail

CHEMBL285899

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CC(C)(Cc1c[nH]c2ccccc12)NCC(O)c1cccc(Cl)c1

Basic Information

ChEMBL ID CHEMBL285899
Phase Preclinical
Structure Type MOL
InChI Key YLOWXWHAWCOZBC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.9
MW (Da)
4.47
ALogP
2
HBA
3
HBD
48.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23ClN2O
MW 342.87
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.47

Activity Summary

EC50 1 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-3 adrenergic receptor
CHEMBL246
EC50 7.16 7.16 70.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12657269 10.1016/s0960-894x(03)00073-8 Beta-3 adrenergic receptor 2

Data from ChEMBL 36 via Core Engine