Compound Detail
CHEMBL562668
OTENABANT 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL562668 |
| Name | OTENABANT |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | UNAZAADNBYXMIV-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
8
PK Parameters
20
Publications
5
Known Names
1
Indications
1
Mechanisms
Molecular Properties
510.4
MW (Da)
4.22
ALogP
7
HBA
2
HBD
102.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cannabinoid CB1 receptor antagonist | ANTAGONIST | Cannabinoid receptor 1 | ✓ | ✓ |
Indications
Obesity
Activity Summary
Ki 5 meas. best 9.92
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 9.92 | 9.4067 | 0.1 | 3 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 8.55 | 8.55 | 2.8 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.11 | 5.11 | 7700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1200.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 740.0 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 4.6 | nM | Rattus norvegicus |
| Fu | 0.51 | nmol/g | Rattus norvegicus |
| Ke | 8.7 | nM | Homo sapiens |
| Ke | 8.7 | nM | Homo sapiens |
| Ke | 0.2 | nM | Homo sapiens |
| T1/2 | 120.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 0.12 | nM | 9.92 | Antagonist activity against human CB1 receptor expressed in CHO-K1 cells by [35S... | 19102698 |
| Cannabinoid receptor 1 | Ki | = | 0.7 | nM | 9.15 | Displacement of [3H]SR141716A from human CB1 receptor expressed in HEK293 cells | 19102698 |
| Cannabinoid receptor 1 | Ki | = | 0.7 | nM | 9.15 | Displacement of [3H]CP55940 from human CB1 expressed in CHOK1 cell membranes | 29688015 |
| Cannabinoid receptor 1 | Ki | = | 2.8 | nM | 8.55 | Displacement of [3H]SR141716A from CB1 receptor in rat brain | 19102698 |
| Cannabinoid receptor 2 | Ki | = | 7700.0 | nM | 5.11 | Displacement of [3H]CP55940 from human CB2 expressed in CHOK1 cell membranes | 29688015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724801 | U2OS | 304 |
| - | 10.6019/CHEMBL5058577 | U2OS | 304 |
| - | 10.6019/CHEMBL5058577 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5724801 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5724801 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5058577 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5058564 | Fibroblast | 7 |
| 19527048 | 10.1021/jm900179y | Mus musculus | 6 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 5 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 5 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 5 |
| - | 10.6019/CHEMBL5058564 | U2OS | 5 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 5 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 5 |
Data from ChEMBL 36 via Core Engine