Compound Detail
CHEMBL58521
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Basic Information
| ChEMBL ID | CHEMBL58521 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZXMPPFPUUCRFN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
107.2
MW (Da)
1.58
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.44 | 6.375 | 36.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 36.31 | nM | 7.44 | Inhibition of acetylcholinesterase. | 1738151 |
| Acetylcholinesterase | IC50 | = | 4900.0 | nM | 5.31 | IC50 against acetylcholinesterase; value ranges from 1-4900 nM. | 1738151 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 13215 | 10.1021/jm00211a010 | No relevant target | 4 |
| 1738151 | 10.1021/jm00081a022 | Acetylcholinesterase | 2 |
| 3172126 | 10.1021/jm00118a010 | ADMET | 1 |
| 3172126 | 10.1021/jm00118a010 | No relevant target | 1 |
| 3172126 | 10.1021/jm00118a010 | Albumin | 1 |
| 15857133 | 10.1021/jm048980b | No relevant target | 1 |
| 13215 | 10.1021/jm00211a010 | Colon | 1 |
| 13215 | 10.1021/jm00211a010 | Small intestine | 1 |
| 319235 | 10.1021/jm00212a009 | No relevant target | 1 |
| 319235 | 10.1021/jm00212a009 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine