Compound Detail
CHEMBL189395
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Basic Information
| ChEMBL ID | CHEMBL189395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJOKIMKAWKJMMB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
3.84
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | Ki | 9.61 | 9.61 | 0.2 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | Ki | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 0.2455 | nM | 9.61 | Binding affinity for human recombinant Melatonin receptor type 2 expressed in NI... | 15293992 |
| Melatonin receptor type 1A | Ki | = | 1.288 | nM | 8.89 | Binding affinity for human recombinant Melatonin receptor type 1 expressed in NI... | 15293992 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15293992 | 10.1021/jm040768k | Melatonin receptor type 1A | 2 |
| 15293992 | 10.1021/jm040768k | Melatonin receptor type 1B | 2 |
Data from ChEMBL 36 via Core Engine