Compound Detail
CHEMBL1998112
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Basic Information
| ChEMBL ID | CHEMBL1998112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZQVOIDVDAVDFW-UHFFFAOYSA-N |
24
Targets
24
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
3.26
ALogP
7
HBA
2
HBD
103.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 24 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | Ki | 7.9 | 7.9 | 12.6 | 1 |
| Protein-tyrosine kinase 6 CHEMBL4601 | Ki | 7.5 | 7.5 | 31.6 | 1 |
| Aurora kinase B CHEMBL2185 | Ki | 7.5 | 7.5 | 31.6 | 1 |
| Tyrosine-protein kinase Blk CHEMBL2250 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| Proto-oncogene tyrosine-protein kinase ROS CHEMBL5568 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | Ki | 7.1 | 7.1 | 79.4 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 7.1 | 7.1 | 79.4 | 1 |
| STE20-like serine/threonine-protein kinase CHEMBL4202 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330 | Ki | 6.9 | 6.9 | 125.9 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | Ki | 6.8 | 6.8 | 158.5 | 1 |
| Tyrosine-protein kinase BTK CHEMBL5251 | Ki | 6.8 | 6.8 | 158.5 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Tyrosine-protein kinase Lyn CHEMBL3905 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| Tyrosine-protein kinase Fer CHEMBL3982 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| Insulin receptor CHEMBL1981 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Serine/threonine-protein kinase N2 CHEMBL3032 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Serine/threonine-protein kinase 17A CHEMBL4525 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Receptor tyrosine-protein kinase erbB-4 CHEMBL3009 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Protein kinase C delta type CHEMBL2996 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| SRSF protein kinase 1 CHEMBL4375 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine