Compound Detail
CHEMBL33316
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Basic Information
| ChEMBL ID | CHEMBL33316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIBLFAMJLVFXAT-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
134.1
MW (Da)
0.49
ALogP
3
HBA
2
HBD
67.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.17
IC50 1 meas. best 5.16
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 6810.0 | nM | 5.17 | Displacement of [3H]adenine from adenine 1 receptor in rat brain cortical membra... | 19731917 |
| Unchecked | Ki | = | 6680.0 | nM | 5.17 | Displacement of [3H]adenine from adenine 1 receptor in HEK293 cells by liquid sc... | 19731917 |
| HEp-2 | IC50 | = | 7000.0 | nM | 5.16 | Compound was evaluated for cytotoxicity against H.Ep.-2 cells and concentration ... | 6708054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19731917 | 10.1021/jm9006356 | Unchecked | 3 |
| 2165159 | 10.1021/jm00170a005 | Phosphatidylinositol 4-kinase, PI4K | 1 |
| 6708054 | 10.1021/jm00370a018 | HEp-2 | 1 |
| 3941408 | 10.1021/jm00151a022 | Nucleic Acid | 1 |
| 3941408 | 10.1021/jm00151a022 | Mus musculus | 1 |
| 3941408 | 10.1021/jm00151a022 | EL4 | 1 |
| 3941408 | 10.1021/jm00151a022 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine