Compound Detail
CHEMBL2386130
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Basic Information
| ChEMBL ID | CHEMBL2386130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKBGNOWCADYGTR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
201.2
MW (Da)
2.06
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Astrocyte CHEMBL614871 | IC50 | 5.39 | 5.39 | 4070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Astrocyte | IC50 | = | 4070.0 | nM | 5.39 | Inhibition of H2O2-induced mitochondrial metabolic dysfunction in Sprague-Dawley... | 28089588 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23795241 | 10.1021/ml400036z | Isocitrate dehydrogenase [NADP] cytoplasmic | 3 |
| 35635945 | 10.1016/j.ejmech.2022.114443 | Human alphaherpesvirus 2 | 3 |
| 28089588 | 10.1016/j.bmc.2016.12.052 | Astrocyte | 2 |
| 31910018 | 10.1021/acs.jmedchem.9b01338 | SH-SY5Y | 2 |
| 23795241 | 10.1021/ml400036z | WI-38 | 1 |
Data from ChEMBL 36 via Core Engine