Compound Detail
CHEMBL491341
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Basic Information
| ChEMBL ID | CHEMBL491341 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBTWRUSWHCTAMJ-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1187138 |
| Active Moiety | CHEMBL1187138 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
275.3
MW (Da)
3.43
ALogP
2
HBA
0
HBD
25.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-431 CHEMBL614069 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| MLF CHEMBL613547 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-431 | IC50 | = | 340.0 | nM | 6.47 | Cytotoxicity against human A431 cells | 10425120 |
| NON-PROTEIN TARGET | IC50 | = | 500.0 | nM | 6.3 | Cytotoxicity against human OVACR3 cells | 10425120 |
| MLF | IC50 | = | 4900.0 | nM | 5.31 | Cytotoxicity against MLF cells | 10425120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10425120 | 10.1021/np990035g | A2780 | 2 |
| 10425120 | 10.1021/np990035g | Saccharomyces cerevisiae | 1 |
| 10425120 | 10.1021/np990035g | M109 | 1 |
| 10425120 | 10.1021/np990035g | NON-PROTEIN TARGET | 1 |
| 10425120 | 10.1021/np990035g | A-431 | 1 |
| 10425120 | 10.1021/np990035g | MLF | 1 |
Data from ChEMBL 36 via Core Engine