Compound Detail
CHEMBL24955
BEXLOSTERIDE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL24955 |
| Name | BEXLOSTERIDE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | WQBIOEFDDDEARX-CHWSQXEVSA-N |
4
Targets
15
Activities
2
Assay Types
0
PK Parameters
15
Publications
5
Known Names
Molecular Properties
249.7
MW (Da)
2.99
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 9 meas. best 8.64
Ki 6 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 CHEMBL1787 | IC50 | 8.64 | 8.196 | 2.3 | 5 |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 CHEMBL1787 | Ki | 8.4 | 8.31 | 4.0 | 2 |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 1 CHEMBL3422 | Ki | 8.1 | 8.1 | 8.0 | 1 |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 2 CHEMBL1856 | Ki | 6.0 | 5.96 | 1000.0 | 2 |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 2 CHEMBL1856 | IC50 | 5.76 | 5.38 | 1750.0 | 4 |
| 3-oxo-5-alpha-steroid 4-dehydrogenase 2 CHEMBL5099 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80363-2 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 2 |
| - | 10.1016/S0960-894X(01)80363-2 | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 2 |
| 9135028 | 10.1021/jm960697s | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
| 9135028 | 10.1021/jm960697s | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 1 |
| 8381185 | 10.1021/jm00055a014 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
| 8381185 | 10.1021/jm00055a014 | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 1 |
| 10714498 | 10.1016/s0960-894x(99)00698-8 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
| 10714498 | 10.1016/s0960-894x(99)00698-8 | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 1 |
| - | 10.1016/0960-894X(96)00136-9 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
| 11020287 | 10.1021/jm000945r | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
| 11020287 | 10.1021/jm000945r | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 1 |
| 7650670 | 10.1021/jm00017a001 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
| 7650670 | 10.1021/jm00017a001 | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 1 |
| 7966146 | 10.1021/jm00049a003 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
| 7966146 | 10.1021/jm00049a003 | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 1 |
Data from ChEMBL 36 via Core Engine