Compound Detail
CHEMBL5977080
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CC(=O)Nc1ccc(N2C(=S)N(c3cnc(C#N)c(C(F)(F)F)c3)C(=O)C23CCC3)cc1F
Basic Information
| ChEMBL ID | CHEMBL5977080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNRAWXCMVVGRFE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
477.4
MW (Da)
4.13
ALogP
5
HBA
1
HBD
89.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 5.84 | 5.84 | 1452.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 1452.0 | nM | 5.84 | Affinity Assay: hAR-LBD (633-919) was cloned into pGex4t.1. Large scale GST-tagg... | - |
| Androgen receptor | Ki | = | 1452.0 | nM | 5.84 | Human Androgen Receptor (hAR) Ligand Binding Domain (LBD) Affinity Assay: Method... | - |
Data from ChEMBL 36 via Core Engine