Compound Detail
CHEMBL3298512
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 | CHEMBL3298512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAABAAPIHZWIND-ZDUSSCGKSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
275.4
MW (Da)
2.88
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.67 | 4.67 | 21500.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 4.64 | 4.64 | 22900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.28 | 4.28 | 52600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 580.0 | nM | 6.24 | Inhibition of AKT1 (unknown origin) after 1 hr by Z'-LYTE kinase assay in presen... | 24900862 |
| NON-PROTEIN TARGET | IC50 | = | 21500.0 | nM | 4.67 | Growth inhibition of human HCT116 cells after 72 hrs by coulter counter method | 24900862 |
| NCI-H460 | IC50 | = | 22900.0 | nM | 4.64 | Growth inhibition of human NCI-H460 cells after 72 hrs by coulter counter method | 24900862 |
| Unchecked | IC50 | = | 52600.0 | nM | 4.28 | Inhibition of PKAalpha (unknown origin) after 1 hr by Z'-LYTE kinase assay in pr... | 24900862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900862 | 10.1021/ml500088x | Unchecked | 5 |
| 24900862 | 10.1021/ml500088x | RAC-alpha serine/threonine-protein kinase | 3 |
| 24900862 | 10.1021/ml500088x | Tyrosine-protein kinase Yes | 1 |
| 24900862 | 10.1021/ml500088x | Vascular endothelial growth factor receptor 2 | 1 |
| 24900862 | 10.1021/ml500088x | Vascular endothelial growth factor receptor 1 | 1 |
| 24900862 | 10.1021/ml500088x | Receptor tyrosine-protein kinase erbB-4 | 1 |
| 24900862 | 10.1021/ml500088x | Epidermal growth factor receptor | 1 |
| 24900862 | 10.1021/ml500088x | Tyrosine-protein kinase CSK | 1 |
| 24900862 | 10.1021/ml500088x | Serine/threonine-protein kinase Chk1 | 1 |
| 24900862 | 10.1021/ml500088x | CDK2/Cyclin A2 | 1 |
| 24900862 | 10.1021/ml500088x | Cyclin-dependent kinase 1/cyclin B1 | 1 |
| 24900862 | 10.1021/ml500088x | Calcium/calmodulin-dependent protein kinase type 1D | 1 |
| 24900862 | 10.1021/ml500088x | Aurora kinase A | 1 |
| 24900862 | 10.1021/ml500088x | AMP-activated protein kinase, AMPK | 1 |
| 24900862 | 10.1021/ml500088x | Tyrosine-protein kinase ABL1 | 1 |
| 24900862 | 10.1021/ml500088x | NCI-H460 | 1 |
| 24900862 | 10.1021/ml500088x | NON-PROTEIN TARGET | 1 |
| 24900862 | 10.1021/ml500088x | Maternal embryonic leucine zipper kinase | 1 |
| 24900862 | 10.1021/ml500088x | Serine/threonine-protein kinase Chk2 | 1 |
| 24900862 | 10.1021/ml500088x | Calcium/calmodulin-dependent protein kinase type IV | 1 |
Data from ChEMBL 36 via Core Engine