Compound Detail
CHEMBL3633441
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Basic Information
| ChEMBL ID | CHEMBL3633441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQJGNAZZWVRHPM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
3.49
ALogP
5
HBA
1
HBD
84.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H1299 CHEMBL612255 | IC50 | 5.98 | 5.98 | 1050.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.83 | 5.83 | 1490.0 | 1 |
| Cyclin-dependent kinases regulatory subunit 1/S-phase kinase-associated protein 2 CHEMBL3885558 | IC50 | 5.78 | 5.78 | 1670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H1299 | IC50 | = | 1050.0 | nM | 5.98 | Antiproliferative activity against human H1299 cells after 2 days | 26463131 |
| A549 | IC50 | = | 1490.0 | nM | 5.83 | Antiproliferative activity against human A549 cells after 2 days | 26463131 |
| Cyclin-dependent kinases regulatory subunit 1/S-phase kinase-associated protein 2 | IC50 | = | 1670.0 | nM | 5.78 | Inhibition of Cks1-Skp2 (unknown origin) interaction after 30 mins by ELISA | 26463131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26463131 | 10.1016/j.bmcl.2015.09.067 | Cyclin-dependent kinases regulatory subunit 1/S-phase kinase-associated protein 2 | 3 |
| 26463131 | 10.1016/j.bmcl.2015.09.067 | A549 | 2 |
| 26463131 | 10.1016/j.bmcl.2015.09.067 | NON-PROTEIN TARGET | 1 |
| 26463131 | 10.1016/j.bmcl.2015.09.067 | NCI-H1299 | 1 |
Data from ChEMBL 36 via Core Engine