Compound Detail
CHEMBL1652670
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Nc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2nc(CCOc3ccc(F)cc3)sc2n1
Basic Information
| ChEMBL ID | CHEMBL1652670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJAZUDGUCBHPLM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
543.0
MW (Da)
3.81
ALogP
9
HBA
1
HBD
106.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lymphocyte CHEMBL612599 | IC50 | 5.45 | 5.45 | 3540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lymphocyte | IC50 | = | 3540.0 | nM | 5.45 | 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