Compound Detail
CHEMBL5686996
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5686996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAOKZJIFQMAOJE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
4.05
ALogP
6
HBA
3
HBD
110.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 7.1 | 7.08 | 80.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL1 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of human ABL1 T315I mutant (229 to 499 residues) using ABLtide as sub... | 21481795 |
| Tyrosine-protein kinase ABL1 | IC50 | = | 88.0 | nM | 7.06 | Inhibition of human N-terminal his tagged native ABL1 (229 to 499 residues) expr... | 21481795 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21481795 | 10.1016/j.ccr.2011.03.003 | Tyrosine-protein kinase ABL1 | 2 |
Data from ChEMBL 36 via Core Engine