Compound Detail
CHEMBL445269
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Basic Information
| ChEMBL ID | CHEMBL445269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUNDKIPOXXHMOS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
270.2
MW (Da)
2.71
ALogP
5
HBA
0
HBD
103.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 4.32 | 4.32 | 48110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 48110.0 | nM | 4.32 | Binding affinity to Mycobacterium tuberculosis APS reductase | 18855373 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18855373 | 10.1021/jm800571m | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine