Compound Detail
CHEMBL1774529
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1774529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VERILOROOMDMCV-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
361.5
MW (Da)
4.74
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.96
EC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1A CHEMBL1945 | Ki | 10.96 | 9.425 | 0.0 | 2 |
| Melatonin receptor type 1B CHEMBL1946 | Ki | 10.96 | 9.425 | 0.0 | 2 |
| Melatonin receptor type 1A CHEMBL1945 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 0.011 | nM | 10.96 | Displacement of [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO ... | 21473625 |
| Melatonin receptor type 1A | Ki | = | 0.011 | nM | 10.96 | Binding affinity to human MT1 receptor assessed as inhibition constant | 37866336 |
| Melatonin receptor type 1A | EC50 | = | 3.02 | nM | 8.52 | Agonist activity at human MT1 receptor expressed in CHO cells assessed as inhibi... | 21473625 |
| Melatonin receptor type 1A | Ki | = | 13.0 | nM | 7.89 | Displacement of [125I]-2-iodomelatonin from human MT1 receptor expressed on CHO ... | 21473625 |
| Melatonin receptor type 1B | Ki | = | 13.0 | nM | 7.89 | Binding affinity to human MT2 receptor assessed as inhibition constant | 37866336 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21473625 | 10.1021/jm200221q | Melatonin receptor type 1B | 3 |
| 21473625 | 10.1021/jm200221q | Melatonin receptor type 1A | 2 |
| 21473625 | 10.1021/jm200221q | Unchecked | 1 |
| 37866336 | 10.1016/j.ejmech.2023.115888 | Melatonin receptor type 1A | 1 |
| 37866336 | 10.1016/j.ejmech.2023.115888 | Melatonin receptor type 1B | 1 |
Data from ChEMBL 36 via Core Engine