Compound Detail
CHEMBL275431
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Basic Information
| ChEMBL ID | CHEMBL275431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQAUYCHQXXIBSF-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
512.5
MW (Da)
8.05
ALogP
4
HBA
1
HBD
28.2
PSA (Ų)
0.08
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.43
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| UV4 | IC50 | = | 37.0 | nM | 7.43 | In vitro cytotoxicity against transformed chinese hamster fibroblast line UV4. | 2319563 |
| P388 | IC50 | = | 360.0 | nM | 6.44 | In vitro cytotoxicity against P388 murine leukemia | 2319563 |
| P388 | IC50 | = | 380.0 | nM | 6.42 | Cytotoxicity against P388 leukemia cell line | 2231599 |
| CHO-AA8 | IC50 | = | 710.0 | nM | 6.15 | In vitro cytotoxicity against transformed chinese hamster fibroblast line AA8 | 2319563 |
| CHO-AA8 | IC50 | = | 710.0 | nM | 6.15 | Cytotoxicity against AA8 cell line | 2231599 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2319563 | 10.1021/jm00166a015 | P388 | 3 |
| 2231599 | 10.1021/jm00173a016 | P388 | 3 |
| 2319563 | 10.1021/jm00166a015 | ADMET | 2 |
| 2319563 | 10.1021/jm00166a015 | CHO-AA8 | 1 |
| 2319563 | 10.1021/jm00166a015 | UV4 | 1 |
| 2319563 | 10.1021/jm00166a015 | Unchecked | 1 |
| 2231599 | 10.1021/jm00173a016 | CHO-AA8 | 1 |
| 2231599 | 10.1021/jm00173a016 | Unchecked | 1 |
| 2231599 | 10.1021/jm00173a016 | Nucleic Acid | 1 |
| 2231599 | 10.1021/jm00173a016 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine