Compound Detail
CHEMBL1957618
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Basic Information
| ChEMBL ID | CHEMBL1957618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXNHDJGRDAQOBY-UHFFFAOYSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
355.8
MW (Da)
4.24
ALogP
4
HBA
1
HBD
61.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.08
EC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 8.08 | 7.4325 | 8.3 | 4 |
| Androgen receptor CHEMBL1871 | EC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 8.3 | nM | 8.08 | Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor T877A muta... | 22391033 |
| Androgen receptor | IC50 | = | 26.0 | nM | 7.58 | Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed ... | 22391033 |
| Androgen receptor | IC50 | = | 48.0 | nM | 7.32 | Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inh... | 22391033 |
| Androgen receptor | IC50 | = | 180.0 | nM | 6.75 | Antagonist activity at androgen receptor T877A mutant expressed in Cos7 cells as... | 22391033 |
| Androgen receptor | EC50 | = | 1600.0 | nM | 5.8 | Agonist activity at androgen receptor T877A mutant expressed in Cos7 cells after... | 22391033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22391033 | 10.1016/j.bmc.2012.02.005 | Androgen receptor | 6 |
Data from ChEMBL 36 via Core Engine