Compound Detail
CHEMBL4846891
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
Basic Information
| ChEMBL ID | CHEMBL4846891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KANLUNNZVJTEQW-SWZPTJTJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
210.3
MW (Da)
2.85
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 4.31 | 4.31 | 49400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 49400.0 | nM | 4.31 | Binding affinity to Mycobacterium tuberculosis CYP124A1 by UV-visible spectropho... | 34289431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34289431 | 10.1016/j.bmc.2021.116304 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine