Compound Detail
CHEMBL129452
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Basic Information
| ChEMBL ID | CHEMBL129452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNTOFUWITKZULK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
325.8
MW (Da)
4.70
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 0.5 | nM | 9.3 | Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]ha... | 7902869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7902869 | 10.1021/jm00076a021 | D(2) dopamine receptor | 2 |
| 7902869 | 10.1021/jm00076a021 | Sigma non-opioid intracellular receptor 1 | 1 |
| 7902869 | 10.1021/jm00076a021 | Serotonin 1 (5-HT1) receptor | 1 |
| 7902869 | 10.1021/jm00076a021 | Serotonin 2 (5-HT2) receptor | 1 |
| 7902869 | 10.1021/jm00076a021 | D(1A) dopamine receptor | 1 |
| 7902869 | 10.1021/jm00076a021 | Glutamate receptor ionotropic, NMDA 2C | 1 |
Data from ChEMBL 36 via Core Engine