Compound Detail
CHEMBL124881
(S)-BICALUTAMIDE Enter ChEMBL ID:
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C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL124881 |
| Name | (S)-BICALUTAMIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKJPYSCBVHEWIU-QGZVFWFLSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
430.4
MW (Da)
2.88
ALogP
5
HBA
2
HBD
107.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 6.44 | 6.44 | 365.0 | 1 |
| Androgen receptor CHEMBL3072 | Ki | 6.44 | 6.44 | 363.1 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 19.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 365.0 | nM | 6.44 | Binding Affinity towards Rat Androgen Receptor was determined using [3H]- mibole... | 10691684 |
| Androgen receptor | Ki | = | 363.08 | nM | 6.44 | Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventr... | 15715462 |
| Androgen receptor | Ki | = | 365.0 | nM | 6.44 | Binding affinity to Androgen receptor (unknown origin) | 35786895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10691684 | 10.1021/jm990027x | Androgen receptor | 1 |
| 15239655 | 10.1021/jm0499007 | Androgen receptor | 1 |
| 3351865 | 10.1021/jm00399a034 | Rattus norvegicus | 1 |
| 15715462 | 10.1021/jm0495879 | Androgen receptor | 1 |
| 17328524 | 10.1021/jm060847r | Androgen receptor | 1 |
| 23199477 | 10.1016/j.bmc.2012.11.001 | Plasma | 1 |
| 22961681 | 10.1124/dmd.112.047068 | Bile salt export pump | 1 |
| 35786895 | 10.1021/acs.jmedchem.2c00716 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine