Compound Detail
CHEMBL474268
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Basic Information
| ChEMBL ID | CHEMBL474268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFVHUTNSNQLFIJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
555.2
MW (Da)
8.43
ALogP
4
HBA
3
HBD
62.0
PSA (Ų)
0.13
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 6.86 | 6.86 | 137.0 | 1 |
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 2.57 | nM | 8.59 | Inhibition of human recombinant AChE by Ellman's method | 18605718 |
| Cholinesterase | IC50 | = | 137.0 | nM | 6.86 | Inhibition of human serum BChE by Ellman's method | 18605718 |
| Glutamate NMDA receptor; GRIN1/GRIN2B | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of NMDA NR1/NR2B receptor expressed in xenopus oocytes assessed as in... | 18605718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18605718 | 10.1021/jm800577j | Acetylcholinesterase | 2 |
| 18605718 | 10.1021/jm800577j | Cholinesterase | 1 |
| 18605718 | 10.1021/jm800577j | Unchecked | 1 |
| 18605718 | 10.1021/jm800577j | Glutamate NMDA receptor; GRIN1/GRIN2B | 1 |
Data from ChEMBL 36 via Core Engine