Compound Detail
CHEMBL1210515
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Basic Information
| ChEMBL ID | CHEMBL1210515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPQHJWKLRRXKIS-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
3.76
ALogP
5
HBA
1
HBD
77.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.1
EC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Acetylcholine receptor subunit alpha CHEMBL4808 | IC50 | 6.1 | 6.1 | 794.3 | 1 |
| Neuronal acetylcholine receptor subunit alpha-3 CHEMBL3068 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| 5-hydroxytryptamine receptor 3A CHEMBL1899 | IC50 | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 1.995 | nM | 8.7 | Positive allosteric modulator activity at human alpha7 nAChR expressed in rat GH... | 20591663 |
| Acetylcholine receptor subunit alpha | IC50 | = | 794.33 | nM | 6.1 | Antagonist activity at human alpha1 nAChR in human TE671 cells | 20591663 |
| Neuronal acetylcholine receptor subunit alpha-3 | IC50 | = | 1000.0 | nM | 6.0 | Antagonist activity at human alpha3 nAChR in human IMR32 cells | 20591663 |
| 5-hydroxytryptamine receptor 3A | IC50 | = | 7943.28 | nM | 5.1 | Antagonist activity at human 5HT3 receptor | 20591663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20591663 | 10.1016/j.bmcl.2010.06.014 | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 20591663 | 10.1016/j.bmcl.2010.06.014 | 5-hydroxytryptamine receptor 3A | 1 |
| 20591663 | 10.1016/j.bmcl.2010.06.014 | Neuronal acetylcholine receptor subunit alpha-3 | 1 |
| 20591663 | 10.1016/j.bmcl.2010.06.014 | Acetylcholine receptor subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine