Compound Detail
CHEMBL1374751
CIMATEROL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1374751 |
| Name | CIMATEROL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | BUXRLJCGHZZYNE-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
20
Publications
7
Known Names
Molecular Properties
219.3
MW (Da)
1.17
ALogP
4
HBA
3
HBD
82.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
EC50 4 meas. best 8.13
Ki 3 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-1 adrenergic receptor CHEMBL213 | EC50 | 8.13 | 8.13 | 7.4 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 7.15 | 6.075 | 70.4 | 2 |
| Beta-1 adrenergic receptor CHEMBL213 | Ki | 6.79 | 6.79 | 161.5 | 1 |
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 6.71 | 6.71 | 194.8 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | Ki | 5.73 | 5.73 | 1865.1 | 1 |
| Beta-3 adrenergic receptor CHEMBL246 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-1 adrenergic receptor | EC50 | = | 7.413 | nM | 8.13 | Partial agonist activity at human beta1 adrenoceptor expressed in CHOK1 cells as... | 23614528 |
| Beta-2 adrenergic receptor | EC50 | = | 70.43 | nM | 7.15 | GPCR PRESTO-Tango dose-response in agonist mode with target: ADRB2 | - |
| Beta-1 adrenergic receptor | Ki | = | 161.49 | nM | 6.79 | PDSP Secondary Binding target: ADRB1 - Compounds are tested at 10 uM concentrati... | - |
| Beta-2 adrenergic receptor | Ki | = | 194.76 | nM | 6.71 | PDSP Secondary Binding target: ADRB2 - Compounds are tested at 10 uM concentrati... | - |
| Beta-3 adrenergic receptor | Ki | = | 1865.09 | nM | 5.73 | PDSP Secondary Binding target: ADRB3 - Compounds are tested at 10 uM concentrati... | - |
| Beta-3 adrenergic receptor | EC50 | = | 10000.0 | nM | 5.0 | Agonist activity at human beta3 adrenoceptor expressed in CHOK1 cells assessed a... | 23614528 |
| Beta-2 adrenergic receptor | EC50 | = | 10000.0 | nM | 5.0 | Agonist activity at human beta2 adrenoceptor expressed in CHOK1 cells assessed a... | 23614528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724696 | U2OS | 24 |
| - | 10.6019/CHEMBL5724696 | TERT-RPE1 | 12 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 10 |
| - | 10.6019/CHEMBL4689842 | U2OS | 8 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 5 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 5 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 5 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 5 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 5 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 5 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 23614528 | 10.1021/jm400348g | Beta-1 adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine