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Compound Detail

CHEMBL24967

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CCCOc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12

Basic Information

ChEMBL ID CHEMBL24967
Phase Preclinical
Structure Type MOL
InChI Key GOYCSHYIDOQMRL-MBABXSBOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.9
MW (Da)
4.86
ALogP
3
HBA
3
HBD
57.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27ClN2O2
MW 386.92
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.62

Activity Summary

EC50 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-3 adrenergic receptor
CHEMBL246
EC50 7.85 7.85 14.0 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