Compound Detail
CHEMBL285602
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Oc1cc(C(F)(F)F)c2cc3c(cc2n1)NCCC3c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL285602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTMLPPUXYPZSFW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
480.3
MW (Da)
6.94
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.6 | 6.6 | 251.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 251.0 | nM | 6.6 | Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using ... | 10340624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10340624 | 10.1016/s0960-894x(99)00186-9 | Androgen receptor | 5 |
Data from ChEMBL 36 via Core Engine