Compound Detail
CHEMBL349631
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Basic Information
| ChEMBL ID | CHEMBL349631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOUKYANHUBKAIN-SECBINFHSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
3.67
ALogP
3
HBA
0
HBD
25.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.25
Ki 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | Ki | 7.48 | 7.48 | 33.0 | 1 |
| Androgen receptor CHEMBL1871 | IC50 | 7.25 | 7.25 | 56.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | Ki | = | 33.0 | nM | 7.48 | Binding affinity against Androgen receptor transfected into COS cells | 9871534 |
| Androgen receptor | IC50 | = | 56.0 | nM | 7.25 | Antagonistic activity (IC50) against human androgen receptor (hAR) in co-transfe... | 9871534 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871534 | 10.1016/s0960-894x(98)00107-3 | Androgen receptor | 5 |
Data from ChEMBL 36 via Core Engine