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Compound Detail

CHEMBL1159715

COLTEROL
🧪 Phase II
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🧪 Phase II
CC(C)(C)NCC(O)c1ccc(O)c(O)c1

Basic Information

ChEMBL ID CHEMBL1159715
Name COLTEROL
Phase Phase II
Structure Type MOL
InChI Key PHSMOUBHYUFTDM-UHFFFAOYSA-N

Known Names

Colterol KWD-2026 S-1541 WIN-5563
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
4
Known Names

Molecular Properties

225.3
MW (Da)
1.52
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic

Flags

Natural Product
USAN Stem -terol
USAN Year 1976

Extended Properties

Molecular Formula C12H19NO3
MW 225.29
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.47

Activity Summary

Kd 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-2 adrenergic receptor
CHEMBL3373
Kd 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2870189 10.1021/jm00154a020 Beta-2 adrenergic receptor 4
2836587 10.1021/jm00401a004 Beta-2 adrenergic receptor 3
19629 10.1021/jm00218a008 Unchecked 3
2993621 10.1021/jm00147a037 Beta-2 adrenergic receptor 2
19629 10.1021/jm00218a008 ADMET 2
20504 10.1021/jm00220a007 Beta-1 adrenergic receptor 2
20504 10.1021/jm00220a007 Beta-2 adrenergic receptor 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
2870189 10.1021/jm00154a020 ADMET 1
2870189 10.1021/jm00154a020 No relevant target 1
20504 10.1021/jm00220a007 Unchecked 1
36067397 10.1021/acs.jmedchem.2c01075 Solute carrier family 22 member 3 1

Data from ChEMBL 36 via Core Engine