Compound Detail
CHEMBL284434
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CC1=C2C=C(C(=O)O)CC[C@]2(C)C2CC[C@@]3(C)C(CC[C@@H]3C(=O)c3cccc4ccccc34)C2C1
Basic Information
| ChEMBL ID | CHEMBL284434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYWSTOHRELDBBD-XXRHFDIKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
7.61
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Steroid 5-alpha-reductase CHEMBL2096664 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 170.0 | nM | 6.77 | Inhibitory concentration on human 5-alpha reductase isozyme | 9135028 |
| Steroid 5-alpha-reductase | IC50 | = | 200.0 | nM | 6.7 | Inhibition of rat 5-alpha reductase isozyme. | 9135028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9135028 | 10.1021/jm960697s | Unchecked | 1 |
| 9135028 | 10.1021/jm960697s | Steroid 5-alpha-reductase | 1 |
Data from ChEMBL 36 via Core Engine