Compound Detail
CHEMBL2337505
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Basic Information
| ChEMBL ID | CHEMBL2337505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOTNXUMZXQAPPB-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
312.8
MW (Da)
3.40
ALogP
3
HBA
1
HBD
47.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.23
EC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 7.23 | 6.49 | 59.0 | 4 |
| Androgen receptor CHEMBL1871 | EC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 59.0 | nM | 7.23 | Inhibition of Androgen receptor T877A mutant (unknown origin) expressed in Frees... | 23199477 |
| Androgen receptor | IC50 | = | 420.0 | nM | 6.38 | Inhibition of wild type Androgen receptor (unknown origin) expressed in Freestyl... | 23199477 |
| Androgen receptor | IC50 | = | 450.0 | nM | 6.35 | Antagonist activity at Androgen receptor T877A mutant (unknown origin) expressed... | 23199477 |
| Androgen receptor | IC50 | = | 1000.0 | nM | 6.0 | Antagonist activity at wild type Androgen receptor (unknown origin) expressed in... | 23199477 |
| Androgen receptor | EC50 | = | 4800.0 | nM | 5.32 | Agonist activity at Androgen receptor T877A mutant in human LNCaP-hr cells asses... | 23199477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23199477 | 10.1016/j.bmc.2012.11.001 | Androgen receptor | 6 |
Data from ChEMBL 36 via Core Engine