Compound Detail
CHEMBL1973961
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COc1cc(N2CCN(C)CC2)ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12
Basic Information
| ChEMBL ID | CHEMBL1973961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSSRVQAIWBZWON-UHFFFAOYSA-N |
17
Targets
17
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
491.5
MW (Da)
4.44
ALogP
5
HBA
2
HBD
73.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 17 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukocyte tyrosine kinase receptor CHEMBL5627 | Ki | 7.9 | 7.9 | 12.6 | 1 |
| ALK tyrosine kinase receptor CHEMBL4247 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| Wee1-like protein kinase CHEMBL5491 | Ki | 7.1 | 7.1 | 79.4 | 1 |
| Proto-oncogene tyrosine-protein kinase ROS CHEMBL5568 | Ki | 6.9 | 6.9 | 125.9 | 1 |
| Serine/threonine-protein kinase PLK4 CHEMBL3788 | Ki | 6.6 | 6.6 | 251.2 | 1 |
| NT-3 growth factor receptor CHEMBL5608 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Focal adhesion kinase 1 CHEMBL2695 | Ki | 6.2 | 6.2 | 631.0 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | Ki | 6.2 | 6.2 | 631.0 | 1 |
| Tyrosine-protein kinase Fer CHEMBL3982 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Tyrosine-protein kinase FRK CHEMBL4223 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Macrophage-stimulating protein receptor CHEMBL2689 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| Activated CDC42 kinase 1 CHEMBL4599 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
| Protein kinase C gamma type CHEMBL2938 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| Death-associated protein kinase 3 CHEMBL2468 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine