Compound Detail
CHEMBL1652668
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CC(c1ccc(F)cc1)c1nc2c(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)nc(N)nc2s1
Basic Information
| ChEMBL ID | CHEMBL1652668 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJWDQXWACDUIPM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
527.0
MW (Da)
4.34
ALogP
8
HBA
1
HBD
97.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lymphocyte CHEMBL612599 | IC50 | 5.36 | 5.36 | 4380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lymphocyte | IC50 | = | 4380.0 | nM | 5.36 | Immunosuppressive activity in peripheral blood lymphocytes isolated from two ind... | 21171614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21171614 | 10.1021/jm101254z | Lymphocyte | 1 |
Data from ChEMBL 36 via Core Engine