Compound Detail
CHEMBL3639840
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Basic Information
| ChEMBL ID | CHEMBL3639840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSLMJIPSSNUWRV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
4.09
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 CHEMBL1862 | Ki | 10.7 | 10.7 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 | Ki | = | 0.02 | nM | 10.7 | In Vitro Enzyme Assay: Using the following procedure, varying concentration of c... | - |
Data from ChEMBL 36 via Core Engine