Compound Detail
CHEMBL4453792
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Basic Information
| ChEMBL ID | CHEMBL4453792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKTJXLZKXVWLTD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
4.52
ALogP
5
HBA
2
HBD
86.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 70000.0 | nM | 4.16 | Binding affinity to Mycobacterium abscessus N-terminal His-tagged 3C protease li... | 31282680 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31282680 | 10.1021/acs.jmedchem.9b00809 | Mycobacterium tuberculosis | 4 |
| 31282680 | 10.1021/acs.jmedchem.9b00809 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine