Compound Detail
CHEMBL3785910
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Basic Information
| ChEMBL ID | CHEMBL3785910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPNSZLLOUYDIGN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
277.1
MW (Da)
2.69
ALogP
4
HBA
1
HBD
42.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-375 CHEMBL613859 | IC50 | 5.63 | 5.63 | 2354.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-375 | IC50 | = | 2354.0 | nM | 5.63 | Antiproliferative activity against human A-375 cells assessed as reduction in ce... | 33309473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27017554 | 10.1016/j.ejmech.2016.03.006 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 1 |
| 27017554 | 10.1016/j.ejmech.2016.03.006 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 28750313 | 10.1016/j.ejmech.2017.07.021 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 1 |
| 28750313 | 10.1016/j.ejmech.2017.07.021 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 33309473 | 10.1016/j.ejmech.2020.113031 | A-375 | 1 |
Data from ChEMBL 36 via Core Engine