Compound Detail
CHEMBL1290184
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Basic Information
| ChEMBL ID | CHEMBL1290184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOXHESMXGWQKOM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
4.51
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 10.2 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 13.5 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | IC50 | = | 2.512 | nM | 8.6 | Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO-K1 ce... | 21036043 |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 100.0 | nM | 7.0 | Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO-K1 ce... | 21036043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | ADMET | 3 |
| 21036043 | 10.1016/j.bmcl.2010.10.016 | Muscarinic acetylcholine receptor M3 | 1 |
| 21036043 | 10.1016/j.bmcl.2010.10.016 | Muscarinic acetylcholine receptor M2 | 1 |
Data from ChEMBL 36 via Core Engine