Compound Detail
CHEMBL1984135
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Basic Information
| ChEMBL ID | CHEMBL1984135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYHWPFXPFFPQRT-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
186.3
MW (Da)
2.16
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Ki 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
| Cholinesterase CHEMBL5763 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | Ki | = | 6309.57 | nM | 5.2 | Displacement of [3H]epibatidine from chimeric human alpha7-5-HT3A receptor expre... | 22959526 |
| Cholinesterase | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of recombinant equine BChE by Ellman's method | 34391122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22959526 | 10.1016/j.bmc.2012.06.054 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 34391122 | 10.1016/j.bmc.2021.116355 | Glutamate NMDA receptor; GRIN1/GRIN2A | 1 |
| 34391122 | 10.1016/j.bmc.2021.116355 | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 | 1 |
| 34391122 | 10.1016/j.bmc.2021.116355 | Acetylcholinesterase | 1 |
| 34391122 | 10.1016/j.bmc.2021.116355 | Cholinesterase | 1 |
| 34391122 | 10.1016/j.bmc.2021.116355 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine