Compound Detail
CHEMBL93027
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Basic Information
| ChEMBL ID | CHEMBL93027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPMPNSIAJLJJTG-UHFFFAOYSA-N |
1
Targets
8
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
4.87
ALogP
3
HBA
1
HBD
55.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.39
Ki 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | Ki | 7.7 | 7.7 | 19.9 | 3 |
| Progesterone receptor CHEMBL208 | IC50 | 7.39 | 7.386 | 41.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | Ki | = | 20.0 | nM | 7.7 | Binding affinity towards progesterone receptor was measured | 11591515 |
| Progesterone receptor | Ki | = | 20.0 | nM | 7.7 | Binding affinity against Baculovirus-Expressed hPR-A | 9719599 |
| Progesterone receptor | Ki | = | 19.95 | nM | 7.7 | Displacement of [3H]progesterone from Progesterone receptor | 16821785 |
| Progesterone receptor | IC50 | = | 41.0 | nM | 7.39 | Inhibitory concentration against progesterone stimulated alkaline phosphatase ac... | 11591515 |
| Progesterone receptor | IC50 | = | 41.0 | nM | 7.39 | Progesterone receptor antagonist activity based on its ability to block progeste... | 12419390 |
| Progesterone receptor | IC50 | = | 41.0 | nM | 7.39 | Inhibition of human progesterone receptor | 16078826 |
| Progesterone receptor | IC50 | = | 42.0 | nM | 7.38 | Inhibitory concentration against progesterone induced PRE-luciferase activity in... | 11591515 |
| Progesterone receptor | IC50 | = | 42.0 | nM | 7.38 | In vitro antagonist activity against human progesterone receptor isoform B(hPR-B... | 9719599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11591515 | 10.1016/s0960-894x(01)00554-6 | Progesterone receptor | 3 |
| 9719599 | 10.1021/jm9801915 | Progesterone receptor | 3 |
| 12419390 | 10.1016/s0960-894x(02)00746-1 | Progesterone receptor | 1 |
| 16078826 | 10.1021/jm050358b | Progesterone receptor | 1 |
| 16821785 | 10.1021/jm060234e | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine