Compound Detail
CHEMBL259067
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Basic Information
| ChEMBL ID | CHEMBL259067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWMBIIQCLUIHDI-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
2.74
ALogP
8
HBA
1
HBD
105.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
EC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroidogenic factor 1 CHEMBL4666 | IC50 | 7.52 | 6.82 | 30.0 | 2 |
| Estrogen receptor CHEMBL206 | EC50 | 4.9 | 4.9 | 12613.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroidogenic factor 1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of Gal4-fused human SF1 LBD (198 to 462 residues) expressed in CHO-K1... | 32184971 |
| Steroidogenic factor 1 | IC50 | = | 760.0 | nM | 6.12 | Inhibition of GAL4-tagged NR5A1 by luciferase assay | 18374567 |
| Estrogen receptor | EC50 | = | 12613.85 | nM | 4.9 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Potentiators Dose ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 32184971 | 10.1021/acsmedchemlett.9b00442 | Steroidogenic factor 1 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 18374567 | 10.1016/j.bmcl.2008.03.027 | Steroidogenic factor 1 | 1 |
| 18374567 | 10.1016/j.bmcl.2008.03.027 | Nuclear receptor ROR-alpha | 1 |
| 18374567 | 10.1016/j.bmcl.2008.03.027 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 32184971 | 10.1021/acsmedchemlett.9b00442 | Nuclear receptor subfamily 5 group A member 2 | 1 |
| - | 10.6019/EOS300108 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine