Compound Detail
CHEMBL6043805
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CC(C)(C)OC(=O)Nc1cnn(C[C@](C)(O)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1
Basic Information
| ChEMBL ID | CHEMBL6043805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZXFXFRPIRPCAA-IBGZPJMESA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
453.4
MW (Da)
3.51
ALogP
7
HBA
3
HBD
129.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.86
IC50 2 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 5.94 | 5.94 | 1153.0 | 2 |
| Androgen receptor CHEMBL1871 | Ki | 5.86 | 5.86 | 1382.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 1153.0 | nM | 5.94 | Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay: Method... | - |
| Androgen receptor | IC50 | = | 1153.0 | nM | 5.94 | Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay: Method... | - |
| Androgen receptor | Ki | = | 1382.0 | nM | 5.86 | Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay: Method... | - |
| Androgen receptor | Ki | = | 1382.0 | nM | 5.86 | Affinity Assay: hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagg... | - |
| Androgen receptor | Ki | = | 1382.0 | nM | 5.86 | Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay: Method... | - |
Data from ChEMBL 36 via Core Engine