Compound Detail
CHEMBL2441189
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Basic Information
| ChEMBL ID | CHEMBL2441189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJEJQMHJEIOZGZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
5.04
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vero CHEMBL391 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vero | EC50 | = | 2300.0 | nM | 5.64 | Cytotoxicity against african green monkey Vero cells after 72 hrs by MTT assay | 24075144 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24075144 | 10.1016/j.bmc.2013.08.048 | Mycobacterium tuberculosis | 3 |
| 24075144 | 10.1016/j.bmc.2013.08.048 | ADMET | 1 |
| 24075144 | 10.1016/j.bmc.2013.08.048 | Vero | 1 |
Data from ChEMBL 36 via Core Engine