Compound Detail
CHEMBL99768
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Basic Information
| ChEMBL ID | CHEMBL99768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFVWMZPXLOIKJK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
329.5
MW (Da)
3.66
ALogP
5
HBA
0
HBD
38.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 6.84 | 5.94 | 144.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 20.0 | nM | 7.7 | Binding affinity against muscarinic receptor in rat brain membranes using oxotre... | 9873644 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 144.54 | nM | 6.84 | Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells... | 17977730 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 9120.11 | nM | 5.04 | Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells... | 17977730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17977730 | 10.1016/j.bmc.2007.10.058 | 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 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine