Compound Detail
CHEMBL400403
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Basic Information
| ChEMBL ID | CHEMBL400403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQNMVTOJPFMVNB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
503.0
MW (Da)
4.93
ALogP
7
HBA
3
HBD
103.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 CHEMBL1862 | Ki | 8.59 | 7.955 | 2.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 | Ki | = | 2.6 | nM | 8.59 | Inhibition of Abl | 17827012 |
| Tyrosine-protein kinase ABL1 | Ki | = | 48.0 | nM | 7.32 | Inhibition of Abl-T315I mutant | 17827012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17827012 | 10.1016/j.bmcl.2007.08.043 | Tyrosine-protein kinase ABL1 | 2 |
Data from ChEMBL 36 via Core Engine