Compound Detail
CHEMBL61965
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Basic Information
| ChEMBL ID | CHEMBL61965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXJBMINJWJMKKL-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1179139 |
| Active Moiety | CHEMBL1179139 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
4.73
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 4.71 | 4.71 | 19400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 10000.0 | nM | 5.0 | In vitro inhibitory activity against human recombinant AChE | 11755352 |
| Cavia porcellus | IC50 | = | 19400.0 | nM | 4.71 | In vitro potency in reversing vecuronium-induced block in guinea pig hemidiaphra... | 11755352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11755352 | 10.1016/s0960-894x(01)00703-x | Acetylcholinesterase | 1 |
| 11755352 | 10.1016/s0960-894x(01)00703-x | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine