Compound Detail
CHEMBL1790284
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
CC(O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL1790284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FALPKPIDNYEDKA-UFPODXOJSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
349.5
MW (Da)
2.96
ALogP
3
HBA
2
HBD
60.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.12
Ki 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid 5-alpha-reductase CHEMBL2096664 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| Steroid 5-alpha-reductase CHEMBL2096664 | IC50 | 8.12 | 8.12 | 7.6 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroid 5-alpha-reductase | Ki | = | 6.0 | nM | 8.22 | Apparent inhibitory constant value for rat prostatic steroid 5-alpha reductase w... | 3783591 |
| Steroid 5-alpha-reductase | IC50 | = | 7.6 | nM | 8.12 | In vitro inhibitory activity against rat prostatic steroid 5-alpha-reductase | 3783591 |
| Androgen receptor | IC50 | = | 1900.0 | nM | 5.72 | In vitro antagonist activity against rat prostatic androgen receptor (AR) | 3783591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3783591 | 10.1021/jm00161a028 | Steroid 5-alpha-reductase | 2 |
| 3783591 | 10.1021/jm00161a028 | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 1 |
| 3783591 | 10.1021/jm00161a028 | Androgen receptor | 1 |
| 6502599 | 10.1021/jm00378a028 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
Data from ChEMBL 36 via Core Engine