Compound Detail
CHEMBL3640871
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[C-]#[N+]c1ccc(-c2nnc([C@H](Nc3ccc([N+]#[C-])c(Cl)c3CC)[C@@H](C)O)o2)cc1
Basic Information
| ChEMBL ID | CHEMBL3640871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSWNGIPQCGUZFW-CWTRNNRKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
407.9
MW (Da)
5.59
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3072 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 1.0 | nM | 9.0 | Biological Assay: In order to demonstrate the utility of the compounds of this i... | - |
Data from ChEMBL 36 via Core Engine