Compound Detail
CHEMBL21830
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Basic Information
| ChEMBL ID | CHEMBL21830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHDLSGWIMXIQQV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
215.3
MW (Da)
2.98
ALogP
2
HBA
1
HBD
12.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Glutamate receptor ionotropic, NMDA 2C CHEMBL401 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of [3H]- N-allylnormetazocine ([3H]NANM) binding to sigma receptor | 2542555 |
| Glutamate receptor ionotropic, NMDA 2C | IC50 | = | 7600.0 | nM | 5.12 | Inhibition of [3H]1-[1-(2-thienyl) piperidine ([3H]TCP) binding to PCP receptor | 2542555 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2542555 | 10.1021/jm00126a016 | Glutamate receptor ionotropic, NMDA 2C | 2 |
| 2542555 | 10.1021/jm00126a016 | Sigma non-opioid intracellular receptor 1 | 1 |
| 2542555 | 10.1021/jm00126a016 | Rattus norvegicus | 1 |
| 23098038 | 10.1021/jm301055g | NON-PROTEIN TARGET | 1 |
| 23098038 | 10.1021/jm301055g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine