Compound Detail
CHEMBL363321
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Basic Information
| ChEMBL ID | CHEMBL363321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXRQCZVGZICJMH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
265.4
MW (Da)
3.05
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | Ki | 7.52 | 7.52 | 30.2 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | Ki | 6.62 | 6.62 | 239.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 30.2 | nM | 7.52 | Binding affinity for human recombinant Melatonin receptor type 2 expressed in NI... | 15293992 |
| Melatonin receptor type 1A | Ki | = | 239.88 | nM | 6.62 | 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