Compound Detail
CHEMBL484050
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Basic Information
| ChEMBL ID | CHEMBL484050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODPLWLKKGHQYFQ-CYBMUJFWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
4.24
ALogP
5
HBA
1
HBD
51.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.82 | 7.795 | 15.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 15.0 | nM | 7.82 | Cytotoxicity against drug-resistant human KB-3-1 cells by MTS/PMS assay | 12350151 |
| NON-PROTEIN TARGET | IC50 | = | 17.0 | nM | 7.77 | Cytotoxicity against multidrug-resistant human KBV1 cells by MTS/PMS assay | 12350151 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12350151 | 10.1021/np0106384 | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine