Compound Detail
CHEMBL1984038
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COc1cc(-c2ccc3c(c2)NC(=O)c2ccc(-c4ccccc4NS(C)(=O)=O)cc2N3)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL1984038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYRQCAFYZKCCBK-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
545.6
MW (Da)
5.73
ALogP
7
HBA
3
HBD
115.0
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Focal adhesion kinase 1 CHEMBL2695 | Ki | 7.6 | 7.6 | 25.1 | 1 |
| Cyclin-dependent kinase 9 CHEMBL3116 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| STE20-like serine/threonine-protein kinase CHEMBL4202 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| SRSF protein kinase 1 CHEMBL4375 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
| Interleukin-1 receptor-associated kinase 1 CHEMBL3357 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine