Compound Detail
CHEMBL409905
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C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(-c4ccncc4)cc3)C[C@]2(C)[C@H]1C(=O)C1CC1
Basic Information
| ChEMBL ID | CHEMBL409905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MITLRWXNQOZATM-MOFFPKIDSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
491.7
MW (Da)
7.49
ALogP
3
HBA
0
HBD
47.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.4
IC50 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Progesterone receptor CHEMBL208 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 2.5 | nM | 8.6 | Antagonist activity at human PRB expressed in CHO cells assessed as inhibition o... | 18243712 |
| Progesterone receptor | EC50 | = | 4.0 | nM | 8.4 | Agonist activity at human PRB expressed in CHO cells | 18243712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18243712 | 10.1016/j.bmc.2008.01.010 | Progesterone receptor | 4 |
Data from ChEMBL 36 via Core Engine