Compound Detail
CHEMBL3640840
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[C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)O)c(C)c1Cl
Basic Information
| ChEMBL ID | CHEMBL3640840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGBXAUOTTLEBIA-KPZWWZAWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
393.8
MW (Da)
4.65
ALogP
6
HBA
2
HBD
99.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3072 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 2.0 | nM | 8.7 | Biological Assay: In order to demonstrate the utility of the compounds of this i... | - |
Data from ChEMBL 36 via Core Engine