Compound Detail
CHEMBL274253
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Basic Information
| ChEMBL ID | CHEMBL274253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBGQEICPQLDNPH-UHFFFAOYSA-N |
4
Targets
10
Activities
1
Assay Types
1
PK Parameters
15
Publications
0
Known Names
Molecular Properties
296.2
MW (Da)
2.37
ALogP
3
HBA
0
HBD
37.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 6.06 | 5.22 | 880.0 | 2 |
| P388 CHEMBL389 | IC50 | 4.41 | 4.41 | 39000.0 | 2 |
| UV4 CHEMBL612800 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 100.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 880.0 | nM | 6.06 | Ratio = (aerobic IC50 / hypoxic IC50) determined against UV-4 cells with an 18 h... | 2296009 |
| P388 | IC50 | = | 39000.0 | nM | 4.41 | In vitro cytotoxicity against P388 murine leukemia | 2319563 |
| P388 | IC50 | = | 39000.0 | nM | 4.41 | Cytotoxicity against P388 leukemia cell line | 2231599 |
| ADMET | IC50 | = | 42000.0 | nM | 4.38 | Evaluated for inhibitory concentration against UV-4 cells under aerobic conditio... | 2296009 |
| UV4 | IC50 | = | 42000.0 | nM | 4.38 | In vitro cytotoxicity against transformed chinese hamster fibroblast line UV4. | 2319563 |
| Mus musculus | IC50 | = | 100000.0 | nM | 4.0 | The compound was evaluated for the cytotoxicity against BALB/c 3T3 mouse fibrobl... | 1597864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2296009 | 10.1021/jm00163a019 | ADMET | 6 |
| 2319563 | 10.1021/jm00166a015 | P388 | 3 |
| 2231599 | 10.1021/jm00173a016 | P388 | 3 |
| 7783158 | 10.1021/jm00012a027 | ADMET | 2 |
| 2319563 | 10.1021/jm00166a015 | ADMET | 2 |
| 2296009 | 10.1021/jm00163a019 | Unchecked | 1 |
| 2319563 | 10.1021/jm00166a015 | CHO-AA8 | 1 |
| 2319563 | 10.1021/jm00166a015 | UV4 | 1 |
| 2319563 | 10.1021/jm00166a015 | Unchecked | 1 |
| 2231599 | 10.1021/jm00173a016 | Nucleic Acid | 1 |
| 2231599 | 10.1021/jm00173a016 | CHO-AA8 | 1 |
| 2231599 | 10.1021/jm00173a016 | Unchecked | 1 |
| 1597864 | 10.1021/jm00089a027 | ADMET | 1 |
| 1597864 | 10.1021/jm00089a027 | Mus musculus | 1 |
| 1597864 | 10.1021/jm00089a027 | B16-F10 | 1 |
Data from ChEMBL 36 via Core Engine