Compound Detail
CHEMBL5749487
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5749487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORANZZBUKCNAKJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
4.16
ALogP
8
HBA
1
HBD
83.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 CHEMBL331 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 4.54 | 4.54 | 29072.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | IC50 | = | 2.5 | nM | 8.6 | In Vitro Kinase Inhibition Assay: CDK4 and CDK6: IC50 values of compounds agains... | - |
| Cyclin-dependent kinase 6 | IC50 | = | 5.0 | nM | 8.3 | In Vitro Kinase Inhibition Assay: CDK4 and CDK6: IC50 values of compounds agains... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 29072.0 | nM | 4.54 | Activity Assay: PI3Kδ: Briefly, this assay was conducted in buffer (Tris-HCl 40 ... | - |
Data from ChEMBL 36 via Core Engine