Compound Detail
CHEMBL570897
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Basic Information
| ChEMBL ID | CHEMBL570897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLUWUUPEIABQQO-UHFFFAOYSA-N |
3
Targets
8
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
3.35
ALogP
3
HBA
0
HBD
46.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 4.47
EC50 2 meas. best 8.2
IC50 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Androgen receptor CHEMBL3056 | EC50 | 8.2 | 8.2 | 6.3 | 1 |
| Androgen receptor CHEMBL1871 | EC50 | 7.39 | 7.39 | 41.0 | 1 |
| Cathepsin B CHEMBL4072 | Ki | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 2.5 | nM | 8.6 | Displacement of [3H]mibolerone from androgen receptor (unknown origin) after 3 h... | 25862209 |
| Androgen receptor | EC50 | = | 6.31 | nM | 8.2 | Agonist activity at androgen receptor in mouse NIH3T3 cells transiently transfec... | 19856921 |
| Androgen receptor | EC50 | = | 41.0 | nM | 7.39 | Modulation of androgen receptor (unknown origin) expressed in Cos7 cells assesse... | 25862209 |
| Cathepsin B | Ki | = | 34000.0 | nM | 4.47 | Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity... | 23252745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23252745 | 10.1021/jm301544x | Cathepsin B | 4 |
| 19856921 | 10.1021/jm901149c | Androgen receptor | 2 |
| 23252745 | 10.1021/jm301544x | Unchecked | 2 |
| 25862209 | 10.1016/j.bmc.2015.03.032 | Androgen receptor | 2 |
| 23252745 | 10.1021/jm301544x | Pro-cathepsin H | 1 |
| 23252745 | 10.1021/jm301544x | Procathepsin L | 1 |
Data from ChEMBL 36 via Core Engine