Compound Detail
CHEMBL3349090
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN1C(=O)CC[C@@]2(C)C1CC[C@H]1[C@@H]3CC[C@H](C(=O)NCCO)[C@@]3(C)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL3349090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYYSYRHPOPBMEU-DCHKUMJISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
2.57
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid 5-alpha-reductase CHEMBL2096664 | IC50 | 7.03 | 7.03 | 93.0 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroid 5-alpha-reductase | IC50 | = | 93.0 | nM | 7.03 | In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase | 3783591 |
| Androgen receptor | IC50 | = | 1700.0 | nM | 5.77 | 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 | Steroid 5-alpha-reductase | 1 |
| 3783591 | 10.1021/jm00161a028 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine