Compound Detail
CHEMBL198877
AUS-131 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL198877 |
| Name | AUS-131 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ADFCQWZHKCXPAJ-GFCCVEGCSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
13
Publications
2
Known Names
5
Indications
1
Mechanisms
Molecular Properties
242.3
MW (Da)
2.82
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Estrogen receptor beta agonist | AGONIST | Estrogen receptor beta | ✓ | ✓ |
Indications
Menopause Prostatic Hyperplasia Renal Insufficiency, Chronic Alzheimer Disease Breast Neoplasms
Activity Summary
IC50 4 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 5.25 | 5.25 | 5571.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.23 | 5.23 | 5876.0 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 4.13 | 4.13 | 74131.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 5571.0 | nM | 5.25 | Displacement of EL red from human full-length ER-beta expressed in baculovirus e... | 35964426 |
| Estrogen receptor | IC50 | = | 5876.0 | nM | 5.23 | Displacement of EL red from human full-length ER-alpha expressed in baculovirus ... | 35964426 |
| Androgen receptor | IC50 | = | 74131.02 | nM | 4.13 | Inhibitory concentration against recombinant rat androgen receptor expressed in ... | 16134935 |
| Unchecked | IC50 | = | 80000.0 | nM | 4.1 | Displacement of [3H]diazepam from benzodiazepine receptor in rat cerebral cortex... | 6330305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-010-9415-1 | Plasma | 7 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 35902062 | 10.1016/j.bmcl.2022.128908 | Bacillus subtilis | 2 |
| 35902062 | 10.1016/j.bmcl.2022.128908 | No relevant target | 2 |
| 35902062 | 10.1016/j.bmcl.2022.128908 | Escherichia coli | 2 |
| 16134935 | 10.1021/jm050403f | Androgen receptor | 1 |
| 6330305 | 10.1021/np50030a005 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 35964426 | 10.1016/j.ejmech.2022.114658 | Estrogen receptor | 1 |
| 35964426 | 10.1016/j.ejmech.2022.114658 | Estrogen receptor beta | 1 |
Data from ChEMBL 36 via Core Engine