Compound Detail
CHEMBL15318
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Basic Information
| ChEMBL ID | CHEMBL15318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDQLWCNLJLSDBN-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
3.51
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.0
EC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xenopus laevis CHEMBL613478 | EC50 | 7.16 | 7.16 | 70.0 | 1 |
| Melatonin receptor CHEMBL2095154 | Ki | 7.0 | 7.0 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xenopus laevis | EC50 | = | 70.0 | nM | 7.16 | Concentration producing half maximal aggregation of pigment granules in the cent... | - |
| Melatonin receptor | Ki | = | 100.0 | nM | 7.0 | Binding affinity towards melatonin receptor using 2-[125I]iodomelatonin as radio... | - |
| Melatonin receptor | Ki | = | 100.0 | nM | 7.0 | Binding affinity in chicken brain membranes by using [2-125I]melatonin in a comp... | 7707316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80565-5 | Xenopus laevis | 2 |
| - | 10.1016/S0960-894X(01)80565-5 | Melatonin receptor | 1 |
| 9748358 | 10.1021/jm9810093 | Melatonin receptor | 1 |
| 7707316 | 10.1021/jm00007a010 | Melatonin receptor | 1 |
| 7707316 | 10.1021/jm00007a010 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine