Compound Detail
CHEMBL44211
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Basic Information
| ChEMBL ID | CHEMBL44211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAXONBBKEZFRPO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
0.78
ALogP
6
HBA
2
HBD
103.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.05 | 9.05 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.9 | nM | 9.05 | Inhibition of Mycobacterium smegmatis ATCC 607 dihydrofolic reductase | 31103404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31103404 | 10.1016/j.bmc.2019.04.032 | Unchecked | 2 |
| 6094812 | 10.1021/jm00378a021 | ADMET | 1 |
| 31103404 | 10.1016/j.bmc.2019.04.032 | Mycolicibacterium smegmatis | 1 |
Data from ChEMBL 36 via Core Engine