Compound Detail
CHEMBL489925
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Basic Information
| ChEMBL ID | CHEMBL489925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADRNPUSZBRQDBG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
2.74
ALogP
7
HBA
2
HBD
113.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol 14alpha-demethylase CHEMBL5090 | Kd | 5.3 | 4.965 | 5000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol 14alpha-demethylase | Kd | = | 5000.0 | nM | 5.3 | Binding affinity to Mycobacterium tuberculosis His4-tagged recombinant CYP51 inh... | 17846131 |
| Sterol 14alpha-demethylase | Kd | = | 23200.0 | nM | 4.63 | Binding affinity to Mycobacterium tuberculosis His4-tagged recombinant CYP51 F78... | 17846131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17846131 | 10.1128/aac.00311-07 | Sterol 14alpha-demethylase | 2 |
Data from ChEMBL 36 via Core Engine