Compound Detail
CHEMBL198053
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C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@H]1CC2
Basic Information
| ChEMBL ID | CHEMBL198053 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJTOLSNIKJIDFF-LOVVWNRFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
276.5
MW (Da)
4.78
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3072 | IC50 | 5.77 | 5.77 | 1698.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 1698.24 | nM | 5.77 | Inhibitory concentration against recombinant rat androgen receptor expressed in ... | 16134935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16134935 | 10.1021/jm050403f | Androgen receptor | 1 |
| 21036611 | 10.1016/j.bmcl.2010.10.044 | Candida albicans | 1 |
| 21036611 | 10.1016/j.bmcl.2010.10.044 | Nakaseomyces glabratus | 1 |
| 21036611 | 10.1016/j.bmcl.2010.10.044 | Cryptococcus neoformans | 1 |
| 21036611 | 10.1016/j.bmcl.2010.10.044 | Aspergillus fumigatus | 1 |
Data from ChEMBL 36 via Core Engine