Compound Detail
CHEMBL3084676
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C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)CCC(C(=O)O[C@@H]1C[C@H]3CC[C@@H](C1)[N+]3(C)C)c1ccccc1)C2
Basic Information
| ChEMBL ID | CHEMBL3084676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIJNRNDEKWQSIX-XTUIGOAJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
484.7
MW (Da)
4.18
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.5 | 6.5 | 316.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 316.23 | nM | 6.5 | Antagonist activity at muscarinic receptor | 19419864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19419864 | 10.1016/j.bmcl.2009.03.164 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine