Compound Detail
CHEMBL454343
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Basic Information
| ChEMBL ID | CHEMBL454343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOSAFRPTKGFVBR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
3.12
ALogP
4
HBA
1
HBD
42.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-375 CHEMBL613859 | IC50 | 4.11 | 4.11 | 78600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-375 | IC50 | = | 78600.0 | nM | 4.11 | Cytotoxicity against human A375 cells after 96 hrs by MTT assay | 18513976 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18513976 | 10.1016/j.bmc.2008.05.022 | A-375 | 1 |
Data from ChEMBL 36 via Core Engine