Compound Detail
CHEMBL1221411
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Basic Information
| ChEMBL ID | CHEMBL1221411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYLHGALYAPODPJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
469.3
MW (Da)
3.94
ALogP
7
HBA
3
HBD
114.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
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 | Inhibition of recombinant c-Abl after 30 mins | 20674368 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20674368 | 10.1016/j.bmc.2010.07.021 | Tyrosine-protein kinase ABL1 | 1 |
Data from ChEMBL 36 via Core Engine