Compound Detail
CHEMBL433777
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Basic Information
| ChEMBL ID | CHEMBL433777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFURGWJSEGJTTD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
201.3
MW (Da)
3.20
ALogP
2
HBA
0
HBD
16.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | Ki | 6.14 | 6.14 | 718.0 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907593 | Ki | 4.71 | 4.71 | 19430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | Ki | = | 718.0 | nM | 6.14 | Displacement of [3H]epibatidine from human alpha4beta2 nAChR expressed in HEK293... | 35346843 |
| Neuronal acetylcholine receptor; alpha3/beta4 | Ki | = | 19430.0 | nM | 4.71 | Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK293 c... | 35346843 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16078832 | 10.1021/jm040881a | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 16078832 | 10.1021/jm040881a | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 16078832 | 10.1021/jm040881a | Rattus | 1 |
| 35346843 | 10.1016/j.bmcl.2022.128701 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 35346843 | 10.1016/j.bmcl.2022.128701 | Neuronal acetylcholine receptor; alpha3/beta4 | 1 |
| 35346843 | 10.1016/j.bmcl.2022.128701 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine