Compound Detail
CHEMBL422865
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O=C(O)CCCOc1ccccc1-c1cc2cc(C(=O)NC(c3ccc(F)cc3)c3ccc(F)cc3)ccc2o1
Basic Information
| ChEMBL ID | CHEMBL422865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFPFFORDIXMGCM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
541.5
MW (Da)
7.14
ALogP
4
HBA
2
HBD
88.8
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid 5-alpha-reductase CHEMBL2096664 | IC50 | 6.55 | 6.55 | 279.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroid 5-alpha-reductase | IC50 | = | 279.0 | nM | 6.55 | In vitro inhibitory activity against rat testosterone 5 alpha reductase was dete... | 9871560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871560 | 10.1016/s0960-894x(98)00001-8 | Steroid 5-alpha-reductase | 1 |
| 9871560 | 10.1016/s0960-894x(98)00001-8 | 3-oxo-5-alpha-steroid 4-dehydrogenase 1 | 1 |
| 9871560 | 10.1016/s0960-894x(98)00001-8 | 3-oxo-5-alpha-steroid 4-dehydrogenase 2 | 1 |
Data from ChEMBL 36 via Core Engine