Compound Detail
CHEMBL4796759
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Basic Information
| ChEMBL ID | CHEMBL4796759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBOOIIBKKNHSDD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
2.20
ALogP
4
HBA
2
HBD
83.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 12.0 | nM | 7.92 | Displacement of [125l]-lodomelatonin from human MT2 receptor expressed in CHO ce... | 32018096 |
| Unchecked | Ki | = | 220.0 | nM | 6.66 | Displacement of [125l]-lodomelatonin from hamster brain cell QR2 incubated for 6... | 32018096 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32018096 | 10.1016/j.ejmech.2020.112090 | Melatonin receptor type 1A | 2 |
| 32018096 | 10.1016/j.ejmech.2020.112090 | Melatonin receptor type 1B | 1 |
| 32018096 | 10.1016/j.ejmech.2020.112090 | Unchecked | 1 |
| 32018096 | 10.1016/j.ejmech.2020.112090 | No relevant target | 1 |
| 32018096 | 10.1016/j.ejmech.2020.112090 | Nuclear factor erythroid 2-related factor 2 | 1 |
| 32018096 | 10.1016/j.ejmech.2020.112090 | Kelch-like ECH-associated protein 1 | 1 |
| 32018096 | 10.1016/j.ejmech.2020.112090 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine