Compound Detail
CHEMBL1957613
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Basic Information
| ChEMBL ID | CHEMBL1957613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANRVJQZMCWCTRO-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
5.11
ALogP
3
HBA
0
HBD
41.6
PSA (Ų)
0.60
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.02
EC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 9.02 | 8.2767 | 0.9 | 3 |
| Androgen receptor CHEMBL1871 | EC50 | 7.21 | 7.21 | 62.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 0.95 | nM | 9.02 | Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor T877A muta... | 22391033 |
| Androgen receptor | IC50 | = | 1.4 | nM | 8.85 | Displacement of [17-alpha-methyl-3H]mibolerone from androgen receptor expressed ... | 22391033 |
| Androgen receptor | EC50 | = | 62.0 | nM | 7.21 | Agonist activity at androgen receptor T877A mutant expressed in Cos7 cells after... | 22391033 |
| Androgen receptor | IC50 | = | 110.0 | nM | 6.96 | Antagonist activity at androgen receptor expressed in Cos7 cells assessed as inh... | 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