Compound Detail
CHEMBL4483382
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Basic Information
| ChEMBL ID | CHEMBL4483382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYSUSLXZOLRSEX-UVTDQMKNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
2.82
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 5.62 | 5.62 | 2370.0 | 1 |
| MDA-MB-468 CHEMBL614335 | IC50 | 5.11 | 5.11 | 7730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 2370.0 | nM | 5.62 | Inhibition of recombinant human full-length JNK3 using ATF2 as substrate measure... | 31268308 |
| MDA-MB-468 | IC50 | = | 7730.0 | nM | 5.11 | Antiproliferative activity against human MDA-MB-468 cells assessed as inhibition... | 38777278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31268308 | 10.1021/acs.jmedchem.9b00537 | Mitogen-activated protein kinase 10 | 2 |
| 38777278 | 10.1016/j.bmcl.2024.129802 | MDA-MB-468 | 2 |
| 38777278 | 10.1016/j.bmcl.2024.129802 | SK-BR-3 | 1 |
| 38777278 | 10.1016/j.bmcl.2024.129802 | JIMT-1 | 1 |
| 38777278 | 10.1016/j.bmcl.2024.129802 | BT-474 | 1 |
| 38777278 | 10.1016/j.bmcl.2024.129802 | MCF7 | 1 |
| 38777278 | 10.1016/j.bmcl.2024.129802 | MCF-10A | 1 |
Data from ChEMBL 36 via Core Engine