Compound Detail
CHEMBL4514017
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Basic Information
| ChEMBL ID | CHEMBL4514017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCSWJRPKGNJAPV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
2.68
ALogP
4
HBA
1
HBD
63.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cortical neurone CHEMBL5314314 | IC50 | 5.88 | 5.88 | 1310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cortical neurone | IC50 | = | 1310.0 | nM | 5.88 | Antiepileptic actvity in C57BL/6 mouse Primary cortical neuron assessed as reduc... | 31708184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31708184 | 10.1016/j.ejmech.2019.111824 | Mus musculus | 4 |
| 31708184 | 10.1016/j.ejmech.2019.111824 | Cortical neurone | 1 |
Data from ChEMBL 36 via Core Engine