Compound Detail
CHEMBL3425846
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Basic Information
| ChEMBL ID | CHEMBL3425846 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCSIESIOMOMQNH-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
3.21
ALogP
7
HBA
0
HBD
56.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-G-associated kinase CHEMBL4355 | Kd | 7.28 | 7.28 | 52.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-G-associated kinase | Kd | = | 52.0 | nM | 7.28 | Binding affinity to human GAK fused to T7 bacteriophage expressed in Escherichia... | 25822739 |
| Cyclin-G-associated kinase | Kd | = | 52.0 | nM | 7.28 | Binding affinity to wild type DNA-tagged human GAK (G13 to Y338 residues) expres... | 30529544 |
| Cyclin-G-associated kinase | Kd | = | 52.0 | nM | 7.28 | Binding affinity to GAK (unknown origin) by KINOMEscan analysis | 36206553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25822739 | 10.1021/jm501759m | Cyclin-G-associated kinase | 2 |
| 30529544 | 10.1016/j.ejmech.2018.11.065 | Cyclin-G-associated kinase | 1 |
| 36206553 | 10.1021/acs.jmedchem.2c00969 | Cyclin-G-associated kinase | 1 |
Data from ChEMBL 36 via Core Engine