Compound Detail
CHEMBL4796280
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Basic Information
| ChEMBL ID | CHEMBL4796280 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMLCBNAPSVNXOW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
365.3
MW (Da)
4.19
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.34 | 6.34 | 460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 460.0 | nM | 6.34 | Suppression of rotenone-induced ATP depletion in human HepG2 cells incubated for... | 33180495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33180495 | 10.1021/acs.jmedchem.0c00942 | Unchecked | 9 |
| 33180495 | 10.1021/acs.jmedchem.0c00942 | NAD(P)H dehydrogenase [quinone] 1 | 3 |
| 33180495 | 10.1021/acs.jmedchem.0c00942 | HepG2 | 3 |
| 33180495 | 10.1021/acs.jmedchem.0c00942 | SH-SY5Y | 3 |
Data from ChEMBL 36 via Core Engine