Compound Detail
CHEMBL361065
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Basic Information
| ChEMBL ID | CHEMBL361065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACHDFXDSUDOMJL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
358.9
MW (Da)
4.80
ALogP
5
HBA
2
HBD
66.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.96 | 7.885 | 1.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.1 | nM | 8.96 | In vitro inhibitory activity against recombinant p56 lck tyrosine kinase express... | 15546730 |
| Unchecked | IC50 | = | 156.0 | nM | 6.81 | In vivo inhibitory activity against proliferation of normal human peripheral blo... | 15546730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15546730 | 10.1016/j.bmcl.2004.09.093 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine