Compound Detail
CHEMBL5832508
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Basic Information
| ChEMBL ID | CHEMBL5832508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHVIEXIVISXFKR-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
4.19
ALogP
6
HBA
2
HBD
94.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.9
Kd 1 meas. best 9.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 CHEMBL1862 | Kd | 9.42 | 9.42 | 0.4 | 1 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 8.9 | 8.9 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 | Kd | = | 0.38 | nM | 9.42 | KINOMEscan competition binding assay: This assay is described in https://www.dis... | - |
| Tyrosine-protein kinase ABL1 | IC50 | = | 1.27 | nM | 8.9 | Z'-LITE biochemical assay: IC50 against Abelson kinase ABL1 was determined by Li... | - |
Data from ChEMBL 36 via Core Engine