Compound Detail
CHEMBL113244
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 | CHEMBL113244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIZDNHSEMRVWSM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
2.25
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1B CHEMBL4466 | Ki | 8.52 | 7.5533 | 3.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1B | Ki | = | 3.0 | nM | 8.52 | Binding affinity measured against Chicken brain melatonin receptor by using 2-[1... | 9873728 |
| Melatonin receptor type 1B | Ki | = | 16.0 | nM | 7.8 | Binding affinity measured against Chicken brain melatonin receptor by using 2-[1... | 9873728 |
| Melatonin receptor type 1B | Ki | = | 456.0 | nM | 6.34 | Binding affinity measured against Chicken brain melatonin receptor by using 2-[1... | 9873728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873728 | 10.1016/s0960-894x(98)00601-5 | Melatonin receptor type 1B | 3 |
Data from ChEMBL 36 via Core Engine