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Compound Detail

CHEMBL24269

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Cc1cccc2[nH]cc(CC(C)NCC(O)c3cccc(Cl)c3)c12

Basic Information

ChEMBL ID CHEMBL24269
Phase Preclinical
Structure Type MOL
InChI Key ZBBKSSFBAYHGKM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.9
MW (Da)
4.38
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 -0.53

Activity Summary

EC50 1 meas. best 7.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-3 adrenergic receptor
CHEMBL246
EC50 7.02 7.02 96.0 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