Compound Detail
CHEMBL4114715
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 | CHEMBL4114715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEWLIENXMUSPDG-HMMYKYKNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
4.86
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1A CHEMBL1945 | IC50 | 10.1 | 10.1 | 0.1 | 1 |
| Melatonin receptor type 1B CHEMBL1946 | IC50 | 9.37 | 9.37 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1A | IC50 | = | 0.079 | nM | 10.1 | Binding Assay: Binding assay using melatonin receptors 1 or 2. | - |
| Melatonin receptor type 1B | IC50 | = | 0.43 | nM | 9.37 | Binding Assay: Binding assay using melatonin receptors 1 or 2. | - |
Data from ChEMBL 36 via Core Engine