Compound Detail
CHEMBL484728
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Cc1c(/N=C2\O[C@@H](C(F)(F)F)[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl
Basic Information
| ChEMBL ID | CHEMBL484728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KALFKWQLCWAXJO-UQNMOSDGSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
359.7
MW (Da)
2.90
ALogP
4
HBA
1
HBD
68.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.85
Ki 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 9.52 | 9.52 | 0.3 | 1 |
| Androgen receptor CHEMBL3072 | EC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 0.3 | nM | 9.52 | Displacement of [3H[DHT from androgen receptor endogenously expressed in human M... | 19351168 |
| Androgen receptor | EC50 | = | 1.4 | nM | 8.85 | Agonist activity at rat androgen receptor expressed in mouse skeletal muscle C2C... | 19351168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19351168 | 10.1021/jm801583j | Androgen receptor | 2 |
Data from ChEMBL 36 via Core Engine