Compound Detail
CHEMBL4861510
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Basic Information
| ChEMBL ID | CHEMBL4861510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZXZRRFENSICAK-BTQNPOSSSA-N |
| Parent Compound | CHEMBL5028176 |
| Active Moiety | CHEMBL5028176 |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
1.87
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL3199 | IC50 | 6.62 | 5.575 | 240.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 240.0 | nM | 6.62 | Inhibition of AChE in rat brain cortex | 34146704 |
| Acetylcholinesterase | IC50 | = | 320.0 | nM | 6.5 | Inhibition of AChE in rat brain Hippocampus | 34146704 |
| Acetylcholinesterase | IC50 | = | 19120.0 | nM | 4.72 | Inhibition of AChE in rat brain Cerebellum | 34146704 |
| Acetylcholinesterase | IC50 | = | 34600.0 | nM | 4.46 | Inhibition of AChE in rat brain Striatum | 34146704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34146704 | 10.1016/j.bmcl.2021.128206 | Acetylcholinesterase | 4 |
| 34146704 | 10.1016/j.bmcl.2021.128206 | HaCaT | 2 |
| 34146704 | 10.1016/j.bmcl.2021.128206 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine