Compound Detail
CHEMBL2324928
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Basic Information
| ChEMBL ID | CHEMBL2324928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWKLIKWHLFEAFY-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
497.5
MW (Da)
3.63
ALogP
6
HBA
2
HBD
78.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL2 CHEMBL4014 | IC50 | 7.85 | 7.515 | 14.0 | 2 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 7.51 | 7.495 | 31.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL2 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate asse... | 23441572 |
| Tyrosine-protein kinase ABL1 | IC50 | = | 31.0 | nM | 7.51 | Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate asse... | 23441572 |
| Tyrosine-protein kinase ABL1 | IC50 | = | 33.0 | nM | 7.48 | Inhibition of Abl1 kinase (unknown origin) using Tyr 6 peptide as substrate asse... | 23441572 |
| Tyrosine-protein kinase ABL2 | IC50 | = | 66.0 | nM | 7.18 | Inhibition of Abl2 kinase (unknown origin) using Tyr 6 peptide as substrate asse... | 23441572 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23441572 | 10.1021/jm400099d | Tyrosine-protein kinase ABL2 | 2 |
| 23441572 | 10.1021/jm400099d | Tyrosine-protein kinase ABL1 | 2 |
Data from ChEMBL 36 via Core Engine