Compound Detail
CHEMBL5984697
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
CNC(=O)c1ccc(-c2c[nH]c3nc(Nc4ccc(C(=O)NC5CN(C)C5)cc4OC)nc(OC4CCC(C)(O)CC4)c23)cc1
Basic Information
| ChEMBL ID | CHEMBL5984697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCYPGAGHAANYON-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
613.7
MW (Da)
3.85
ALogP
9
HBA
5
HBD
153.7
PSA (Ų)
0.19
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase TTK CHEMBL3983 | IC50 | 8.94 | 8.94 | 1.1 | 1 |
| Dual specificity protein kinase CLK2 CHEMBL4225 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 7.23 | 7.23 | 59.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase TTK | IC50 | = | 1.15 | nM | 8.94 | Radioactivity Based Kinase Assay: The kinase activity is measured using a radioa... | - |
| Dual specificity protein kinase CLK2 | IC50 | = | 1.43 | nM | 8.85 | Radioactivity Based Kinase Assay: The kinase activity is measured using a radioa... | - |
| Dual specificity protein kinase CLK1 | IC50 | = | 59.3 | nM | 7.23 | Radioactivity Based Kinase Assay: The kinase activity is measured using a radioa... | - |
Data from ChEMBL 36 via Core Engine