Compound Detail
CHEMBL1094785
CARMOTEROL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1094785 |
| Name | CARMOTEROL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | IHOXNOQMRZISPV-YJYMSZOUSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
3
Publications
5
Known Names
1
Indications
1
Mechanisms
Molecular Properties
368.4
MW (Da)
2.50
ALogP
5
HBA
4
HBD
94.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Beta-2 adrenergic receptor agonist | AGONIST | Beta-2 adrenergic receptor | ✓ | ✓ |
Indications
Pulmonary Disease, Chronic Obstructive
Activity Summary
EC50 1 meas. best 9.12
IC50 1 meas. best 9.52
Ki 1 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL5414 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 9.12 | 9.12 | 0.8 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 8.5 | 8.5 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | IC50 | = | 0.3 | nM | 9.52 | Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip asses... | 20402514 |
| Beta-2 adrenergic receptor | EC50 | = | 0.76 | nM | 9.12 | Agonist activity at human beta2 adrenergic receptor assessed as increase in cAMP... | 20402514 |
| Beta-2 adrenergic receptor | Ki | = | 3.19 | nM | 8.5 | Displacement of [125I]cyanopindolol from human recombinant beta2 adrenergic rece... | 20402514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20402514 | 10.1021/jm100068m | Beta-2 adrenergic receptor | 6 |
| 20402514 | 10.1021/jm100068m | No relevant target | 1 |
| 20402514 | 10.1021/jm100068m | Albumin | 1 |
Data from ChEMBL 36 via Core Engine