Compound Detail
CHEMBL1966279
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NCCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL1966279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUSGHFKTWQRWPV-UHFFFAOYSA-N |
10
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
2.47
ALogP
6
HBA
4
HBD
147.0
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 10 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | Ki | 7.8 | 7.8 | 15.8 | 1 |
| Aurora kinase B CHEMBL2185 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | Ki | 7.1 | 7.1 | 79.4 | 1 |
| Serine/threonine-protein kinase 3 CHEMBL4708 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
| Misshapen-like kinase 1 CHEMBL5518 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine