Compound Detail
CHEMBL1924047
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C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1ccccc1)N1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL1924047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVEKJMIGSBNUCB-YXWZOGTMSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
7
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
4.78
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 10.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 10.3 | 10.3 | 0.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 85.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 76.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 85.0 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 8.8 | hr | Cavia porcellus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 0.05012 | nM | 10.3 | Antagonist potency at M3 receptor in Dunkin Hartley guinea pig trachea assessed ... | 22047691 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | ADMET | 5 |
| 22047691 | 10.1016/j.bmcl.2011.10.002 | ADMET | 2 |
| 22047691 | 10.1016/j.bmcl.2011.10.002 | Cavia porcellus | 2 |
| 22047691 | 10.1016/j.bmcl.2011.10.002 | Unchecked | 1 |
| 22047691 | 10.1016/j.bmcl.2011.10.002 | Plasma | 1 |
| 22047691 | 10.1016/j.bmcl.2011.10.002 | Liver microsomes | 1 |
| 22047691 | 10.1016/j.bmcl.2011.10.002 | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine