Compound Detail
CHEMBL4745260
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Basic Information
| ChEMBL ID | CHEMBL4745260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRGSOEWEERTHFA-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
4.02
ALogP
6
HBA
2
HBD
108.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 CHEMBL4225 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
| Dual specificity protein kinase CLK3 CHEMBL4226 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | EC50 | 7.07 | 7.07 | 86.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK2 | EC50 | = | 15.0 | nM | 7.82 | Inhibition of recombinant CLK2 (unknown origin) using Ser/Thr 6 peptide as subst... | - |
| Dual specificity protein kinase CLK3 | EC50 | = | 17.0 | nM | 7.77 | Inhibition of recombinant CLK3 (unknown origin) using Ser/Thr 18 peptide as subs... | - |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | EC50 | = | 86.0 | nM | 7.07 | Inhibition of recombinant DYRK1A (unknown origin) using Ser/Thr 18 peptide as su... | - |
Data from ChEMBL 36 via Core Engine