Compound Detail
CHEMBL424906
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Basic Information
| ChEMBL ID | CHEMBL424906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJHDMDLDMVESHW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
2
PK Parameters
8
Publications
0
Known Names
Molecular Properties
468.0
MW (Da)
5.19
ALogP
8
HBA
3
HBD
96.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 74.88 | ng.hr.mL-1 | Mus musculus |
| Cmax | 88.0 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T-cell | IC50 | = | 2.0 | nM | 8.7 | Inhibition of anti CD3/anti CD28-induced T cell proliferation | 17154512 |
| PC-3 | IC50 | = | 2.8 | nM | 8.55 | Antiproliferative activity against human PC3 cells after 72 hrs | 15615512 |
| WiDr | IC50 | = | 4.1 | nM | 8.39 | Antiproliferative activity against human WiDr cells after 72 hrs | 15615512 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615512 | 10.1021/jm049486a | Mus musculus | 3 |
| 17154512 | 10.1021/jm060727j | T-cell | 1 |
| 17154512 | 10.1021/jm060727j | Tyrosine-protein kinase Lck | 1 |
| 15615512 | 10.1021/jm049486a | K562 | 1 |
| 15615512 | 10.1021/jm049486a | PC-3 | 1 |
| 15615512 | 10.1021/jm049486a | MDA-MB-231 | 1 |
| 15615512 | 10.1021/jm049486a | WiDr | 1 |
| 15615512 | 10.1021/jm049486a | Serum | 1 |
Data from ChEMBL 36 via Core Engine