Compound Detail
CHEMBL2059307
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Basic Information
| ChEMBL ID | CHEMBL2059307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAMDTGOBCQBCBW-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
2.73
ALogP
5
HBA
1
HBD
74.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.92
Ki 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 7.92 | 7.92 | 12.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | EC50 | = | 12.0 | nM | 7.92 | Agonist activity at human M1 receptor expressed in CHO-K1 cells assessed as calc... | 22677319 |
| D(2) dopamine receptor | Ki | = | 2200.0 | nM | 5.66 | Displacement of [3H]raclopride from human D2L receptor expressed in CHO cells af... | 22677319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22677319 | 10.1016/j.bmcl.2012.05.048 | Muscarinic acetylcholine receptor M1 | 2 |
| 22677319 | 10.1016/j.bmcl.2012.05.048 | Liver microsomes | 1 |
| 22677319 | 10.1016/j.bmcl.2012.05.048 | D(2) dopamine receptor | 1 |
| 22677319 | 10.1016/j.bmcl.2012.05.048 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine