Compound Detail
CHEMBL2000104
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Basic Information
| ChEMBL ID | CHEMBL2000104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHEQNFWGPSKRMJ-UHFFFAOYSA-N |
20
Targets
20
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
2.86
ALogP
5
HBA
1
HBD
90.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 20 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 alpha CHEMBL2850 | Ki | 7.8 | 7.8 | 15.8 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | Ki | 6.9 | 6.9 | 125.9 | 1 |
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Serine/threonine-protein kinase Chk2 CHEMBL2527 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Cyclin-dependent kinase 5 CHEMBL4036 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Serine/threonine-protein kinase PLK4 CHEMBL3788 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| Serine/threonine-protein kinase D2 CHEMBL4900 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| LIM domain kinase 1 CHEMBL3836 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Casein kinase I isoform delta CHEMBL2828 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
| Serine/threonine-protein kinase Sgk2 CHEMBL5794 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| Casein kinase II subunit alpha CHEMBL3629 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine