Compound Detail
CHEMBL4210089
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Basic Information
| ChEMBL ID | CHEMBL4210089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUDSGFQUWCVFNM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
443.9
MW (Da)
3.94
ALogP
5
HBA
2
HBD
65.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 CHEMBL1862 | Kd | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 | Kd | = | 10000.0 | nM | 5.0 | Binding affinity to ABL1 (64 to 515 residues) (unknown origin) expressed in Esch... | 30137981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30137981 | 10.1021/acs.jmedchem.8b01040 | Tyrosine-protein kinase ABL1 | 2 |
| 30137981 | 10.1021/acs.jmedchem.8b01040 | Bcr/Abl fusion protein | 1 |
Data from ChEMBL 36 via Core Engine