Compound Detail
CHEMBL210147
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Basic Information
| ChEMBL ID | CHEMBL210147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKJPQNIMWAHOBV-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
2.42
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.78
EC50 1 meas. best 10.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanophore CHEMBL614313 | EC50 | 10.31 | 10.31 | 0.0 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | Ki | 8.78 | 8.78 | 1.7 | 1 |
| Melatonin receptor type 1B CHEMBL1946 | Ki | 8.53 | 8.53 | 2.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanophore | EC50 | = | 0.049 | nM | 10.31 | Agonist activity in Xenopus laevis melanophore assessed as potency for pigment a... | 16759094 |
| Melatonin receptor type 1A | Ki | = | 1.67 | nM | 8.78 | Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expres... | 16759094 |
| Melatonin receptor type 1B | Ki | = | 2.94 | nM | 8.53 | Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expres... | 16759094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759094 | 10.1021/jm0512544 | Melanophore | 2 |
| 16759094 | 10.1021/jm0512544 | Melatonin receptor type 1A | 1 |
| 16759094 | 10.1021/jm0512544 | Melatonin receptor type 1B | 1 |
| 16759094 | 10.1021/jm0512544 | Melatonin receptor | 1 |
Data from ChEMBL 36 via Core Engine