Compound Detail
CHEMBL3425841
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Basic Information
| ChEMBL ID | CHEMBL3425841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHTLXHJSISANGN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
2.78
ALogP
7
HBA
2
HBD
76.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-G-associated kinase CHEMBL4355 | Kd | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-G-associated kinase | Kd | = | 120.0 | nM | 6.92 | Binding affinity to human GAK fused to T7 bacteriophage expressed in Escherichia... | 25822739 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25822739 | 10.1021/jm501759m | Cyclin-G-associated kinase | 2 |
Data from ChEMBL 36 via Core Engine