Compound Detail
CHEMBL1935198
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Basic Information
| ChEMBL ID | CHEMBL1935198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRVDHVZODADAGM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
3.02
ALogP
4
HBA
0
HBD
56.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 950.0 | nM | 6.02 | Cytotoxicity against human HepG2/C3A cells after 24 hrs by neutral red uptake as... | 22182928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22182928 | 10.1016/j.ejmech.2011.11.033 | Salmonella typhimurium | 4 |
| 22182928 | 10.1016/j.ejmech.2011.11.033 | Mycobacterium tuberculosis | 1 |
| 22182928 | 10.1016/j.ejmech.2011.11.033 | ADMET | 1 |
| 22182928 | 10.1016/j.ejmech.2011.11.033 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine