Compound Detail
CHEMBL213816
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Basic Information
| ChEMBL ID | CHEMBL213816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQYQZKJQEBBBBS-PJISVWDJSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
359.6
MW (Da)
7.32
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 5 group A member 2 CHEMBL3544 | EC50 | 7.16 | 7.16 | 70.0 | 1 |
| Steroidogenic factor 1 CHEMBL4666 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
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 |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 5 group A member 2 | EC50 | = | 70.0 | nM | 7.16 | Binding affinity to human LRH1 by FRET-based peptide recruitment assay | 17154495 |
| Steroidogenic factor 1 | EC50 | = | 130.0 | nM | 6.89 | Binding affinity to human SF1 by FRET-based peptide recruitment assay | 17154495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17154495 | 10.1021/jm060990k | Nuclear receptor subfamily 5 group A member 2 | 2 |
| 17154495 | 10.1021/jm060990k | Steroidogenic factor 1 | 2 |
| 17154495 | 10.1021/jm060990k | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine