Compound Detail
CHEMBL3342901
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C[C@]12CC[C@H](OC(=O)C3CCCCCC3)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3ccnc3)=C(C=O)C[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL3342901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTACYIDFDXJGKQ-DIUBKPNJSA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
490.7
MW (Da)
6.75
ALogP
5
HBA
0
HBD
61.2
PSA (Ų)
0.20
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25261928 | 10.1016/j.bmc.2014.08.019 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
| 25261928 | 10.1016/j.bmc.2014.08.019 | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 1 |
| 25261928 | 10.1016/j.bmc.2014.08.019 | Androgen receptor | 1 |
| 25261928 | 10.1016/j.bmc.2014.08.019 | NON-PROTEIN TARGET | 1 |
| 25261928 | 10.1016/j.bmc.2014.08.019 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine