Compound Detail
CHEMBL67860
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Basic Information
| ChEMBL ID | CHEMBL67860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMUPKDBUVCZLQS-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
3.36
ALogP
4
HBA
1
HBD
67.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.96
IC50 2 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Progesterone receptor CHEMBL208 | EC50 | 8.96 | 8.96 | 1.1 | 3 |
| T47D CHEMBL614361 | EC50 | 8.96 | 8.96 | 1.1 | 1 |
| Progesterone receptor CHEMBL208 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Progesterone receptor | EC50 | = | 1.1 | nM | 8.96 | Agonistic activity as progesterone receptor induced alkaline phosphatase activit... | 15081005 |
| T47D | EC50 | = | 1.1 | nM | 8.96 | Effective concentration against alkaline phosphatase activity in human T47D brea... | 16078826 |
| Progesterone receptor | EC50 | = | 1.1 | nM | 8.96 | Agonist activity at human PR expressed in human T47D cells assessed as stimulati... | 18318463 |
| Progesterone receptor | EC50 | = | 1.1 | nM | 8.96 | Activity at progesterone receptor assessed as alkaline phosphatase activity in h... | 18722119 |
| Unchecked | IC50 | = | 4.9 | nM | 8.31 | Displacement of [3H]progesterone at progesterone receptor of T47D cells | 15081005 |
| Progesterone receptor | IC50 | = | 4.9 | nM | 8.31 | Displacement of [3H]R5020 from human PR in human T47D cells by whole cell assay | 18318463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15081005 | 10.1016/j.bmcl.2004.02.054 | Progesterone receptor | 4 |
| 18318463 | 10.1021/jm701080t | Progesterone receptor | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 15081005 | 10.1016/j.bmcl.2004.02.054 | Unchecked | 1 |
| 16078826 | 10.1021/jm050358b | T47D | 1 |
| 18722119 | 10.1016/j.bmcl.2008.08.015 | Progesterone receptor | 1 |
Data from ChEMBL 36 via Core Engine