Compound Detail
CHEMBL3593724
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Basic Information
| ChEMBL ID | CHEMBL3593724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSMHMXVTHRMEKR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
4.28
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PBMC CHEMBL613107 | IC50 | 4.49 | 4.49 | 32510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PBMC | IC50 | = | 32510.0 | nM | 4.49 | Cytotoxicity against human PBMC assessed as cell viability after 3 days by Alama... | 26197353 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26197353 | 10.1021/acs.jmedchem.5b00428 | Mycobacterium tuberculosis | 66 |
| 26197353 | 10.1021/acs.jmedchem.5b00428 | Unchecked | 2 |
| 26197353 | 10.1021/acs.jmedchem.5b00428 | PBMC | 2 |
| 26197353 | 10.1021/acs.jmedchem.5b00428 | Mycolicibacterium smegmatis | 1 |
Data from ChEMBL 36 via Core Engine