Compound Detail
CHEMBL4514248
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Basic Information
| ChEMBL ID | CHEMBL4514248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTGDRUPXPWGGMY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
4.80
ALogP
5
HBA
2
HBD
67.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | Cytotoxicity in human WS1 cells assessed as reduction in cell viability incubate... | 31378571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31378571 | 10.1016/j.bmcl.2019.07.012 | Mycobacterium tuberculosis | 6 |
| 31378571 | 10.1016/j.bmcl.2019.07.012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine