Compound Detail
CHEMBL2407121
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Basic Information
| ChEMBL ID | CHEMBL2407121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEGDZFHOYTWNIA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
3.43
ALogP
3
HBA
1
HBD
51.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | IC50 | 4.96 | 4.96 | 11100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 | IC50 | = | 7500.0 | nM | 5.12 | Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells ass... | 23757208 |
| Neuronal acetylcholine receptor; alpha3/beta4 | IC50 | = | 11100.0 | nM | 4.96 | Antagonist activity at human alpha3beta4 nAChR expressed in HEK-tsA201 cells ass... | 23757208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23757208 | 10.1016/j.bmc.2013.03.082 | Neuronal acetylcholine receptor; alpha4/beta2 | 3 |
| 23757208 | 10.1016/j.bmc.2013.03.082 | Neuronal acetylcholine receptor; alpha3/beta4 | 2 |
| 23757208 | 10.1016/j.bmc.2013.03.082 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine