Compound Detail
CHEMBL3349095
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CN1C(=O)C=C[C@@]2(C)C1CC[C@H]1[C@@H]3CC[C@H](C(=O)Sc4ccccn4)[C@@]3(C)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL3349095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVMOGXVDSLYJFW-KSIQVQESSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
424.6
MW (Da)
4.96
ALogP
4
HBA
0
HBD
50.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL3072 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 100.0 | nM | 7.0 | In vitro antagonist activity against rat prostatic androgen receptor (AR) | 3783591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3783591 | 10.1021/jm00161a028 | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 1 |
| 3783591 | 10.1021/jm00161a028 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine