Compound Detail
CHEMBL494480
ADL-5859 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL494480 |
| Name | ADL-5859 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | OPIKUXLJQFYMSC-UHFFFAOYSA-N |
3
Targets
4
Activities
3
Assay Types
8
PK Parameters
17
Publications
1
Known Names
3
Indications
1
Mechanisms
Molecular Properties
392.5
MW (Da)
3.82
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Delta opioid receptor agonist | AGONIST | Delta-type opioid receptor | ✓ | ✓ |
Indications
Arthritis, Rheumatoid Osteoarthritis, Knee Pain
Activity Summary
EC50 2 meas. best 7.7
IC50 1 meas. best 4.11
Ki 1 meas. best 9.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | Ki | 9.08 | 9.08 | 0.8 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Mas-related G-protein coupled receptor member X2 CHEMBL5849 | EC50 | 5.29 | 5.29 | 5128.6 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.11 | 4.11 | 78000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 30.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 6.667 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 117.0 | nM | Rattus norvegicus |
| Cmax | 1732.0 | nM | Canis lupus familiaris |
| F | 33.4 | % | Rattus norvegicus |
| F | 66.5 | % | Canis lupus familiaris |
| T1/2 | 5.3 | hr | Rattus norvegicus |
| T1/2 | 4.7 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 0.84 | nM | 9.08 | Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells | 18788723 |
| Delta-type opioid receptor | EC50 | = | 20.0 | nM | 7.7 | Agonist activity at human delta opioid receptor in CHO cells assessed as stimula... | 18788723 |
| Mas-related G-protein coupled receptor member X2 | EC50 | = | 5128.61 | nM | 5.29 | Agonist activity at MRGPRX2 (unknown origin) expressed in HTLA cells assessed as... | 28288109 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 78000.0 | nM | 4.11 | Inhibition of human ERG channel in HEK293 cells by voltage-clamp method | 18788723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18788723 | 10.1021/jm8008986 | Rattus norvegicus | 17 |
| 18788723 | 10.1021/jm8008986 | Canis familiaris | 5 |
| 28288109 | 10.1038/nchembio.2334 | Mas-related G-protein coupled receptor member X2 | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 18788723 | 10.1021/jm8008986 | Plasma | 3 |
| 18788723 | 10.1021/jm8008986 | Mus musculus | 3 |
| 18788723 | 10.1021/jm8008986 | Liver microsomes | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| 18788723 | 10.1021/jm8008986 | Delta-type opioid receptor | 2 |
| 18788723 | 10.1021/jm8008986 | ADMET | 1 |
| 19694468 | 10.1021/jm900773n | Rattus norvegicus | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 18788723 | 10.1021/jm8008986 | Mu-type opioid receptor | 1 |
| 18788723 | 10.1021/jm8008986 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 18788723 | 10.1021/jm8008986 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine