Compound Detail
CHEMBL6063935
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CNC(=O)c1ccc(-c2c[nH]c3nc(Nc4ccc(C(=O)NC)cc4Cl)nc(OC4CCOCC4)c23)cc1
Basic Information
| ChEMBL ID | CHEMBL6063935 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGZQMRHVQUGUPG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
535.0
MW (Da)
4.30
ALogP
7
HBA
4
HBD
130.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 CHEMBL4225 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 7.07 | 7.07 | 84.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 | IC50 | = | 2.1 | nM | 8.68 | Radioactivity Based Kinase Assay: The kinase activity is measured using a radioa... | - |
| Dual specificity protein kinase CLK1 | IC50 | = | 84.6 | nM | 7.07 | Radioactivity Based Kinase Assay: The kinase activity is measured using a radioa... | - |
Data from ChEMBL 36 via Core Engine