Compound Detail
CHEMBL455684
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Basic Information
| ChEMBL ID | CHEMBL455684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIQVHKINCMEVON-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
2.77
ALogP
3
HBA
1
HBD
46.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol 14alpha-demethylase CHEMBL5090 | Kd | 5.3 | 5.3 | 5000.0 | 1 |
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 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17846131 | 10.1128/aac.00311-07 | Sterol 14alpha-demethylase | 1 |
Data from ChEMBL 36 via Core Engine