Compound Detail
CHEMBL592505
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CC(C)CCCOc1ccc2c(c1)Nc1c(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)nn1CC2
Basic Information
| ChEMBL ID | CHEMBL592505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJOFUUWVBOPLQJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
6.56
ALogP
6
HBA
2
HBD
91.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lymphocyte CHEMBL612599 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lymphocyte | IC50 | = | 620.0 | nM | 6.21 | Immunosuppressive activity in C57BL/6 mouse lymphocytes cocultured with mitomyci... | 19945867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19945867 | 10.1016/j.bmcl.2009.11.013 | Tyrosine-protein kinase Lck | 1 |
| 19945867 | 10.1016/j.bmcl.2009.11.013 | Lymphocyte | 1 |
Data from ChEMBL 36 via Core Engine