Compound Detail
CHEMBL60419
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Basic Information
| ChEMBL ID | CHEMBL60419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGULZVLKCSFCSB-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
1.78
ALogP
5
HBA
0
HBD
38.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.15
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 7.15 | 7.15 | 70.5 | 2 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | EC50 | 6.11 | 6.11 | 779.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 14.0 | nM | 7.85 | Binding affinity against muscarinic receptor in rat brain membranes using oxotre... | 9873644 |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of [3H]- Oxo-M binding at Muscarinic acetylcholine receptor M2 in rat... | 10354408 |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 70.5 | nM | 7.15 | Stimulation of phosphoinositide hydrolysis in A9L cells expressing human m1 rece... | 9873644 |
| Muscarinic acetylcholine receptor M1 | EC50 | = | 70.5 | nM | 7.15 | Stimulation of phosphoinositol hydrolysis in the mouse fibroblast cell line A9L-... | 10354408 |
| Muscarinic acetylcholine receptor M2 | EC50 | = | 779.0 | nM | 6.11 | Stimulation of cAMP in CHO cells expressing human m2 receptor | 9873644 |
| Muscarinic acetylcholine receptor M2 | EC50 | = | 779.0 | nM | 6.11 | Compound was tested for its potency at Muscarinic acetylcholine receptor M2 by i... | 10354408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873644 | 10.1016/s0960-894x(98)00509-5 | Muscarinic acetylcholine receptor M1 | 3 |
| 10354408 | 10.1021/jm9910019 | Muscarinic acetylcholine receptor M2 | 3 |
| 9873644 | 10.1016/s0960-894x(98)00509-5 | Muscarinic acetylcholine receptor M2 | 2 |
| 10354408 | 10.1021/jm9910019 | Muscarinic acetylcholine receptor M1 | 2 |
| 9873644 | 10.1016/s0960-894x(98)00509-5 | Muscarinic acetylcholine receptor | 1 |
| 9873644 | 10.1016/s0960-894x(98)00509-5 | Unchecked | 1 |
| 10354408 | 10.1021/jm9910019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine