Compound Detail
CHEMBL5287491
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Basic Information
| ChEMBL ID | CHEMBL5287491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHWMQZKBMXXBFG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
483.4
MW (Da)
4.83
ALogP
7
HBA
1
HBD
66.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Wee1-like protein kinase CHEMBL5491 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 6.18 | 6.18 | 660.0 | 1 |
| T47D CHEMBL614361 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Wee1-like protein kinase | IC50 | = | 70.0 | nM | 7.16 | Inhibition of recombinant human Wee1 (214 to end residues) incubated for 1 hr in... | 37167712 |
| MV4-11 | IC50 | = | 660.0 | nM | 6.18 | Antiproliferative activity against human MV4-11 cells incubated for 72 hrs by Ce... | 37167712 |
| T47D | IC50 | = | 9600.0 | nM | 5.02 | Antiproliferative activity against human T47D cells incubated for 72 hrs by Cell... | 37167712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37167712 | 10.1016/j.bmc.2023.117312 | MV4-11 | 1 |
| 37167712 | 10.1016/j.bmc.2023.117312 | Wee1-like protein kinase | 1 |
| 37167712 | 10.1016/j.bmc.2023.117312 | T47D | 1 |
| 37167712 | 10.1016/j.bmc.2023.117312 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine