Compound Detail
CHEMBL137103
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Basic Information
| ChEMBL ID | CHEMBL137103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVALABNDJZPNNC-QRVIBDJDSA-N |
3
Targets
6
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
7.13
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.82
IC50 2 meas. best 6.43
EC50 1 meas. best 7.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| Progesterone receptor CHEMBL208 | EC50 | 7.83 | 7.83 | 14.7 | 1 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 6.76 | 6.76 | 173.0 | 1 |
| Glucocorticoid receptor CHEMBL2034 | IC50 | 6.43 | 6.43 | 371.0 | 1 |
| Androgen receptor CHEMBL1871 | Ki | 6.05 | 6.05 | 887.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 1.5 | nM | 8.82 | Binding affinity against human progesterone receptor | 9784110 |
| Progesterone receptor | EC50 | = | 14.7 | nM | 7.83 | Effective concentration (EC50) against human progesterone receptor expressed in ... | 9784110 |
| Glucocorticoid receptor | Ki | = | 173.0 | nM | 6.76 | Binding affinity against human glucocorticoid receptor expressed in SF-12 cells | 9784110 |
| Glucocorticoid receptor | IC50 | = | 371.0 | nM | 6.43 | Inhibitory activity (IC50) against human glucocorticoid receptor expressed in CV... | 9784110 |
| Androgen receptor | Ki | = | 887.0 | nM | 6.05 | Binding affinity against human androgen receptor | 9784110 |
| Androgen receptor | IC50 | = | 1600.0 | nM | 5.8 | Inhibitory activity (IC50) against human androgen receptor expressed in CV-1 cel... | 9784110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784110 | 10.1021/jm980366a | Progesterone receptor | 4 |
| 9784110 | 10.1021/jm980366a | Androgen receptor | 3 |
| 9784110 | 10.1021/jm980366a | Glucocorticoid receptor | 3 |
| 9784110 | 10.1021/jm980366a | Mineralocorticoid receptor | 2 |
| 9784110 | 10.1021/jm980366a | Estrogen receptor | 2 |
| 9784110 | 10.1021/jm980366a | CV-1 | 1 |
Data from ChEMBL 36 via Core Engine