Compound Detail
CHEMBL4115681
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Basic Information
| ChEMBL ID | CHEMBL4115681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMOKSKDNKCWNAF-KPKJPENVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
272.4
MW (Da)
3.07
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor type 1A CHEMBL1945 | IC50 | 9.72 | 9.72 | 0.2 | 1 |
| Melatonin receptor type 1B CHEMBL1946 | IC50 | 9.66 | 9.66 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor type 1A | IC50 | = | 0.19 | nM | 9.72 | Binding Assay: Binding assay using melatonin receptors 1 or 2. | - |
| Melatonin receptor type 1B | IC50 | = | 0.22 | nM | 9.66 | Binding Assay: Binding assay using melatonin receptors 1 or 2. | - |
Data from ChEMBL 36 via Core Engine