Compound Detail
CHEMBL4756198
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)CC(=O)Nc1ccncc1NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12
Basic Information
| ChEMBL ID | CHEMBL4756198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QALWCXJXRVPKFL-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
511.6
MW (Da)
5.24
ALogP
6
HBA
3
HBD
115.9
PSA (Ų)
0.30
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.15
IC50 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 CHEMBL4225 | EC50 | 8.15 | 8.15 | 7.0 | 1 |
| Proto-oncogene Wnt-1 CHEMBL1255129 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.6 | 7.6 | 25.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | EC50 | 7.24 | 7.235 | 57.0 | 2 |
| Dual specificity protein kinase CLK3 CHEMBL4226 | EC50 | 5.74 | 5.74 | 1805.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.73 | 5.73 | 1869.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine