Compound Detail
CHEMBL187160
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Basic Information
| ChEMBL ID | CHEMBL187160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWMLCXWVBHGTFP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.45
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | Ki | 6.79 | 6.79 | 162.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 39.81 | nM | 7.4 | Binding affinity for human recombinant Melatonin receptor type 2 expressed in NI... | 15293992 |
| Melatonin receptor type 1A | Ki | = | 162.18 | nM | 6.79 | 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