Compound Detail
CHEMBL27862
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CC(C)N(C(=O)[C@H]1CCC2C3CCC4C=C(C(=O)O)C=C[C@]4(C)C3CC[C@@]21C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL27862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCZWBSGVTXKGII-CDULULLLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.6
MW (Da)
5.69
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.63
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Steroid 5-alpha-reductase CHEMBL2096664 | Ki | 6.45 | 6.45 | 356.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 20.0 | nM | 7.7 | Apparent binding affinity on human 5-alpha reductase isozyme | 9135028 |
| Steroid 5-alpha-reductase | Ki | = | 356.0 | nM | 6.45 | Apparent binding affinity on 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