Compound Detail
CHEMBL272603
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Basic Information
| ChEMBL ID | CHEMBL272603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJGOTAJCEJCFEV-UHFFFAOYSA-N |
8
Targets
15
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
389.6
MW (Da)
5.16
ALogP
5
HBA
0
HBD
11.4
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 15 meas. best 9.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.26 | 8.6283 | 0.6 | 6 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 8.89 | 8.89 | 1.3 | 3 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.98 | 5.98 | 1041.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.98 | 5.98 | 1041.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.93 | 5.93 | 1175.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.93 | 5.93 | 1175.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 5.85 | 5.85 | 1402.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 5.85 | 5.85 | 1402.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18278854 | 10.1021/jm701357m | Unchecked | 4 |
| 18278854 | 10.1021/jm701357m | Sigma non-opioid intracellular receptor 1 | 1 |
| 18278854 | 10.1021/jm701357m | Sodium-dependent dopamine transporter | 1 |
| 18278854 | 10.1021/jm701357m | Sodium-dependent serotonin transporter | 1 |
| 18278854 | 10.1021/jm701357m | Norepinephrine transporter | 1 |
| 18278854 | 10.1021/jm701357m | Glutamate NMDA receptor | 1 |
| 18278854 | 10.1021/jm701357m | D(2) dopamine receptor | 1 |
| 22850210 | 10.1016/j.bmcl.2012.07.026 | Sigma non-opioid intracellular receptor 1 | 1 |
| 22850210 | 10.1016/j.bmcl.2012.07.026 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine