Compound Detail
CHEMBL183130
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CC1=C[C@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN(C)CCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL183130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJYHZXDSZRZBBS-QHWMMSMNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
417.6
MW (Da)
4.39
ALogP
4
HBA
1
HBD
39.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 4.68 | 4.68 | 20700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 20700.0 | nM | 4.68 | Inhibitory concentration against acetylcholinesterase from rat cortex homogenate... | 15664805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15664805 | 10.1016/j.bmcl.2004.11.060 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine