Compound Detail
CHEMBL5741416
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Basic Information
| ChEMBL ID | CHEMBL5741416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUGYDUKPASPOTN-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
399.2
MW (Da)
4.88
ALogP
6
HBA
2
HBD
94.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.67
Kd 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 CHEMBL1862 | Kd | 9.4 | 9.4 | 0.4 | 1 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 8.67 | 8.67 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 | Kd | = | 0.4 | nM | 9.4 | KINOMEscan competition binding assay: This assay is described in https://www.dis... | - |
| Tyrosine-protein kinase ABL1 | IC50 | = | 2.13 | nM | 8.67 | Z'-LITE biochemical assay: IC50 against Abelson kinase ABL1 was determined by Li... | - |
Data from ChEMBL 36 via Core Engine