Compound Detail
CHEMBL302855
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Basic Information
| ChEMBL ID | CHEMBL302855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFYQZRCMOMKICY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
2.01
ALogP
4
HBA
1
HBD
55.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 7.6 | 7.6 | 25.1 | 1 |
| Sodium-dependent dopamine transporter CHEMBL2986 | IC50 | 6.72 | 6.72 | 192.0 | 1 |
| Bos taurus CHEMBL613489 | IC50 | 6.25 | 6.25 | 557.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 25.12 | nM | 7.6 | Binding affinity towards benzodiazepine receptor inverse agonist site by the dis... | 8411009 |
| Sodium-dependent dopamine transporter | IC50 | = | 192.0 | nM | 6.72 | Competitive inhibition against [3H]cocaine binding to cocaine receptor in bovine... | 2362282 |
| Bos taurus | IC50 | = | 557.0 | nM | 6.25 | Competitive inhibition against [3H]dopamine uptake in bovine striatal tissue | 2362282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9526561 | 10.1021/jm970025h | Sodium-dependent dopamine transporter | 5 |
| 2362282 | 10.1021/jm00169a036 | Sodium-dependent dopamine transporter | 1 |
| 2362282 | 10.1021/jm00169a036 | Bos taurus | 1 |
| 8411009 | 10.1021/jm00072a012 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine