Compound Detail
CHEMBL4276910
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CC(=O)N1CC[C@@H]2[C@H](CC[C@]3(C)C(c4cccnc4)=CC[C@@H]23)[C@@]2(C)CC[C@H](O)C[C@H]12
Basic Information
| ChEMBL ID | CHEMBL4276910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKOLIGYYXMHNCK-JWPQATDFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
408.6
MW (Da)
4.69
ALogP
3
HBA
1
HBD
53.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL3522 | IC50 | 9.0 | 7.43 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 1.0 | nM | 9.0 | Enzyme Activity Assay: Complementary assays were utilized for the quantitative c... | - |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 1380.0 | nM | 5.86 | Inhibition of human membrane bound C-terminal His4-tagged CYP17A1 delta19H mutan... | - |
Data from ChEMBL 36 via Core Engine