Compound Detail
CHEMBL305438
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Basic Information
| ChEMBL ID | CHEMBL305438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZGZPMSRLVMPQR-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
2.98
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.56
Ki 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 6.56 | 6.56 | 276.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.25 | 6.25 | 562.3 | 1 |
| D(2) dopamine receptor CHEMBL339 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 276.0 | nM | 6.56 | In vitro for binding affinity against sigma receptor using [3H](+)-3-PPP as radi... | 2824773 |
| Sodium-dependent dopamine transporter | Ki | = | 562.34 | nM | 6.25 | Binding affinity to dopamine transporter (DAT) using [3H]WIN-35428 as a radiolig... | 11063611 |
| D(2) dopamine receptor | IC50 | = | 13000.0 | nM | 4.89 | Binding affinity against Dopamine receptor D2 using [3H]spiperone as radioligand | 2824773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2824773 | 10.1021/jm00395a002 | Sigma non-opioid intracellular receptor 1 | 1 |
| 2824773 | 10.1021/jm00395a002 | D(2) dopamine receptor | 1 |
| 2824773 | 10.1021/jm00395a002 | Rattus norvegicus | 1 |
| 11063611 | 10.1021/jm990472s | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine