Compound Detail
CHEMBL385911
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Basic Information
| ChEMBL ID | CHEMBL385911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRZLRWJDJPFDGG-KTNSFKJWSA-N |
2
Targets
5
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
385.6
MW (Da)
8.02
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroidogenic factor 1 CHEMBL4666 | EC50 | 7.27 | 7.035 | 54.0 | 2 |
| Nuclear receptor subfamily 5 group A member 2 CHEMBL3544 | EC50 | 6.37 | 6.19 | 430.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 12.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroidogenic factor 1 | EC50 | = | 54.0 | nM | 7.27 | Binding affinity to human SF1 by FRET-based peptide recruitment assay | 17154495 |
| Steroidogenic factor 1 | EC50 | = | 158.49 | nM | 6.8 | Agonist activity at human SF-1 assessed as DAX1 1-23 peptide recruitment by TR-F... | 21391689 |
| Nuclear receptor subfamily 5 group A member 2 | EC50 | = | 430.0 | nM | 6.37 | Binding affinity to human LRH1 by FRET-based peptide recruitment assay | 17154495 |
| Nuclear receptor subfamily 5 group A member 2 | EC50 | = | 630.96 | nM | 6.2 | Agonist activity at human LRH-1 receptor assessed as TIF2 737-757 peptide recrui... | 21391689 |
| Nuclear receptor subfamily 5 group A member 2 | EC50 | = | 1000.0 | nM | 6.0 | Agonist activity at human LRH1 expressed in CV1 cells assessed as SHP reporter g... | 17154495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17154495 | 10.1021/jm060990k | Nuclear receptor subfamily 5 group A member 2 | 4 |
| 17154495 | 10.1021/jm060990k | Steroidogenic factor 1 | 2 |
| 21391689 | 10.1021/jm1014296 | Steroidogenic factor 1 | 2 |
| 21391689 | 10.1021/jm1014296 | Nuclear receptor subfamily 5 group A member 2 | 2 |
| 17154495 | 10.1021/jm060990k | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine