Compound Detail
CHEMBL450940
PRINABEREL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL450940 |
| Name | PRINABEREL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | MQIMZDXIAHJKQP-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
11
Publications
3
Known Names
3
Indications
1
Mechanisms
Molecular Properties
271.2
MW (Da)
3.69
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Estrogen receptor beta agonist | AGONIST | Estrogen receptor beta | ✓ | ✓ |
Indications
Endometriosis Crohn Disease Romano-Ward Syndrome
Activity Summary
IC50 7 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL3021 | IC50 | 8.5 | 8.5 | 3.1 | 1 |
| Estrogen receptor beta CHEMBL2995 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 8.3 | 8.3 | 5.0 | 2 |
| Estrogen receptor CHEMBL2724 | IC50 | 6.21 | 6.21 | 618.0 | 1 |
| Estrogen receptor CHEMBL3065 | IC50 | 6.13 | 6.13 | 746.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.92 | 5.92 | 1216.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 3.14 | nM | 8.5 | Inhibition of [3H]17-beta-estradiol binding to rat ER beta expressed in Escheric... | 15456246 |
| Estrogen receptor beta | IC50 | = | 3.7 | nM | 8.43 | Inhibition of [3H]17-beta-estradiol binding to mouse ER beta expressed in Escher... | 15456246 |
| Estrogen receptor beta | IC50 | = | 5.0 | nM | 8.3 | Inhibitory concentration against human ER beta expressed in Escherichia coli was... | 15456246 |
| Estrogen receptor beta | IC50 | = | 5.0 | nM | 8.3 | Binding affinity to ERbeta | 17459530 |
| Estrogen receptor | IC50 | = | 618.0 | nM | 6.21 | Inhibition of [3H]17-beta-estradiol binding to rat ER alpha expressed in Escheri... | 15456246 |
| Estrogen receptor | IC50 | = | 746.0 | nM | 6.13 | Inhibition of [3H]17-beta-estradiol binding to mouse ER alpha expressed in Esche... | 15456246 |
| Estrogen receptor | IC50 | = | 1216.0 | nM | 5.92 | Inhibitory concentration against human ER alpha expressed in Escherichia coli wa... | 15456246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15456246 | 10.1021/jm049719y | Estrogen receptor | 6 |
| 15456246 | 10.1021/jm049719y | Estrogen receptor beta | 5 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 15456246 | 10.1021/jm049719y | Rattus norvegicus | 2 |
| 15456246 | 10.1021/jm049719y | Mus musculus | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 17459530 | 10.1016/j.ejmech.2007.03.002 | Estrogen receptor beta | 1 |
| 19167882 | 10.1016/j.bmcl.2008.12.080 | Unchecked | 1 |
| 30144697 | 10.1016/j.ejmech.2018.08.006 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine