Compound Detail
CHEMBL131919
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Basic Information
| ChEMBL ID | CHEMBL131919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCUPVUDJKVDTBD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
349.8
MW (Da)
3.06
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL1946 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Melatonin receptor type 1A CHEMBL1945 | Ki | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 1.6 | nM | 8.8 | Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1B ... | 9435890 |
| Melatonin receptor type 1A | Ki | = | 11.0 | nM | 7.96 | Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1A ... | 9435890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435890 | 10.1021/jm970437q | Melatonin receptor type 1A | 1 |
| 9435890 | 10.1021/jm970437q | Melatonin receptor type 1B | 1 |
Data from ChEMBL 36 via Core Engine