Compound Detail
CHEMBL134602
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Basic Information
| ChEMBL ID | CHEMBL134602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCRMHUMUIWUQMT-QRVIBDJDSA-N |
3
Targets
6
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
6.99
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.49
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.28
IC50 2 meas. best 6.19
Ki 2 meas. best 9.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 9.21 | 9.21 | 0.6 | 1 |
| Progesterone receptor CHEMBL208 | EC50 | 8.28 | 7.915 | 5.3 | 2 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 6.68 | 6.68 | 207.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 5.69 | 5.69 | 2050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 0.62 | nM | 9.21 | Binding affinity towards human progesterone receptor A isoform using progesteron... | 12954062 |
| Progesterone receptor | EC50 | = | 5.3 | nM | 8.28 | Agonistic activity against human progesterone receptor in CV-1 cells | 12954062 |
| Progesterone receptor | EC50 | = | 28.0 | nM | 7.55 | Agonistic activity against human progesterone receptor in T47D breast cancer cel... | 12954062 |
| Glucocorticoid receptor | Ki | = | 207.0 | nM | 6.68 | Inhibition of Dexamethasone binding to human glucocorticoid receptor expressed i... | 12954062 |
| Androgen receptor | IC50 | = | 640.0 | nM | 6.19 | Inhibition of human androgen receptor at 10e-12 to 10e-5 M | 12954062 |
| Glucocorticoid receptor | IC50 | = | 2050.0 | nM | 5.69 | Inhibition of human glucocorticoid receptor at 10e-12 to 10e-5 M | 12954062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12954062 | 10.1021/jm020477g | Progesterone receptor | 5 |
| 12954062 | 10.1021/jm020477g | Unchecked | 4 |
| 12954062 | 10.1021/jm020477g | Androgen receptor | 3 |
| 12954062 | 10.1021/jm020477g | Glucocorticoid receptor | 3 |
Data from ChEMBL 36 via Core Engine