Compound Detail
CHEMBL5867752
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CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc(O)cc4)c[nH]c3n2)c(C(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL5867752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQVPRKIEJBHBLO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
5.88
ALogP
6
HBA
4
HBD
112.2
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 CHEMBL4225 | IC50 | 7.46 | 7.46 | 34.9 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 6.52 | 6.52 | 299.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 | IC50 | = | 34.9 | nM | 7.46 | Radioactivity Based Kinase Assay: The kinase activity is measured using a radioa... | - |
| Dual specificity protein kinase CLK1 | IC50 | = | 299.0 | nM | 6.52 | Radioactivity Based Kinase Assay: The kinase activity is measured using a radioa... | - |
Data from ChEMBL 36 via Core Engine