Compound Detail
CHEMBL4280255
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@]12CC[C@H](O)C[C@@H]1/C(=N/O)C[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL4280255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKFOPNLIHMQTMV-ZVWUODORSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
4.92
ALogP
4
HBA
2
HBD
65.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid 21-hydroxylase CHEMBL2759 | IC50 | 8.0 | 6.495 | 10.0 | 2 |
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL3522 | IC50 | 6.82 | 6.82 | 150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroid 21-hydroxylase | IC50 | = | 10.0 | nM | 8.0 | Enzyme Activity Assay: Complementary assays were utilized for the quantitative c... | - |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 150.0 | nM | 6.82 | Inhibition of human membrane bound C-terminal His4-tagged CYP17A1 delta19H mutan... | - |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 150.0 | nM | 6.82 | Enzyme Activity Assay: Complementary assays were utilized for the quantitative c... | - |
| Steroid 21-hydroxylase | IC50 | = | 10300.0 | nM | 4.99 | Inhibition of human membrane bound C-terminal His4-tagged CYP21A2 delta19H mutan... | - |
Data from ChEMBL 36 via Core Engine