Compound Detail
CHEMBL3683258
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
CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
Basic Information
| ChEMBL ID | CHEMBL3683258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YISMQBFJYDFMAL-AESIHLKFSA-N |
37
Targets
62
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
4.18
ALogP
6
HBA
2
HBD
69.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 62 meas. best 10.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 10.72 | 10.72 | 0.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 9.74 | 9.74 | 0.2 | 2 |
| Ribosomal protein S6 kinase alpha-1 CHEMBL2553 | IC50 | 9.72 | 9.72 | 0.2 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 9.71 | 9.485 | 0.2 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 9.49 | 9.018 | 0.3 | 5 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 9.44 | 9.105 | 0.4 | 2 |
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | IC50 | 9.24 | 9.24 | 0.6 | 1 |
| Cyclin-dependent kinase 7/ cyclin H CHEMBL2111288 | IC50 | 9.21 | 8.3233 | 0.6 | 3 |
| Calcium/calmodulin-dependent protein kinase type II subunit gamma CHEMBL3829 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 9.09 | 7.805 | 0.8 | 2 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 8.66 | 8.05 | 2.2 | 3 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 8.57 | 8.51 | 2.7 | 2 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.44 | 8.42 | 3.6 | 2 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 5 CHEMBL5285 | IC50 | 8.2 | 8.2 | 6.3 | 2 |
| Tyrosine-protein kinase Blk CHEMBL2250 | IC50 | 8.13 | 7.555 | 7.4 | 2 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| CDK6/cyclin D1 CHEMBL2111455 | IC50 | 7.97 | 7.97 | 10.8 | 1 |
| SRSF protein kinase 1 CHEMBL4375 | IC50 | 7.85 | 7.665 | 14.0 | 2 |
| Fibroblast growth factor receptor 3 CHEMBL2742 | IC50 | 7.81 | 7.81 | 15.6 | 1 |
| Interleukin-1 receptor-associated kinase 1 CHEMBL3357 | IC50 | 7.65 | 6.68 | 22.6 | 2 |
| Tyrosine-protein kinase Lyn CHEMBL3905 | IC50 | 7.61 | 7.61 | 24.3 | 1 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 7.43 | 6.835 | 37.3 | 6 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.4 | 7.4 | 39.5 | 1 |
| Receptor tyrosine-protein kinase erbB-2 CHEMBL1824 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | IC50 | 7.06 | 7.06 | 87.5 | 1 |
| Serine/threonine-protein kinase Nek1 CHEMBL5855 | IC50 | 6.82 | 6.59 | 150.4 | 2 |
| Protein kinase C zeta type CHEMBL3438 | IC50 | 6.69 | 6.69 | 204.2 | 1 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 6.62 | 6.62 | 242.6 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 6.14 | 6.14 | 719.8 | 1 |
| Serine/threonine-protein kinase PLK2 CHEMBL5938 | IC50 | 6.09 | 6.09 | 813.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 5.89 | 5.89 | 1280.0 | 1 |
| Macrophage-stimulating protein receptor CHEMBL2689 | IC50 | 5.75 | 5.75 | 1791.0 | 1 |
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 5.43 | 5.43 | 3673.0 | 1 |
| Serine/threonine-protein kinase WNK2 CHEMBL5639 | IC50 | 5.09 | 5.09 | 8086.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine