Compound Detail
CHEMBL100163
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Basic Information
| ChEMBL ID | CHEMBL100163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTPZYIBUXWNHIP-LSDHHAIUSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
2.39
ALogP
5
HBA
0
HBD
38.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.17
IC50 1 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 | EC50 | 7.17 | 7.17 | 67.3 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | EC50 | 5.96 | 5.96 | 1096.0 | 1 |
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 | EC50 | = | 67.3 | nM | 7.17 | Stimulation of phosphoinositide hydrolysis in A9L cells expressing human m1 rece... | 9873644 |
| Muscarinic acetylcholine receptor M2 | EC50 | = | 1096.0 | nM | 5.96 | Stimulation of cAMP in CHO cells expressing human m2 receptor | 9873644 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873644 | 10.1016/s0960-894x(98)00509-5 | Muscarinic acetylcholine receptor M1 | 3 |
| 9873644 | 10.1016/s0960-894x(98)00509-5 | Muscarinic acetylcholine receptor M2 | 2 |
| 9873644 | 10.1016/s0960-894x(98)00509-5 | Muscarinic acetylcholine receptor | 1 |
| 9873644 | 10.1016/s0960-894x(98)00509-5 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine