Compound Detail
CHEMBL272663
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Basic Information
| ChEMBL ID | CHEMBL272663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMXIMJSCWXYPJR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
3.57
ALogP
3
HBA
1
HBD
57.8
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | IC50 | 8.48 | 7.96 | 3.3 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1667 | hr | Rattus norvegicus |
| T1/2 | 0.25 | hr | Macaca fascicularis |
| T1/2 | 0.5 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | IC50 | = | 3.3 | nM | 8.48 | Antagonist activity at human PR expressed in human T47D cells assessed as inhibi... | 18318463 |
| Progesterone receptor | IC50 | = | 36.0 | nM | 7.44 | Displacement of [3H]R5020 from human PR in human T47D cells by whole cell assay | 18318463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18318463 | 10.1021/jm701080t | Progesterone receptor | 2 |
| 18318463 | 10.1021/jm701080t | Liver microsomes | 2 |
| 18318463 | 10.1021/jm701080t | ADMET | 1 |
Data from ChEMBL 36 via Core Engine