Compound Detail
CHEMBL1652671
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Nc1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2nc(CCCc3ccc(F)cc3)sc2n1
Basic Information
| ChEMBL ID | CHEMBL1652671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMWVFMSNLOCTRT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
541.0
MW (Da)
4.36
ALogP
8
HBA
1
HBD
97.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lymphocyte CHEMBL612599 | IC50 | 6.02 | 6.02 | 960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lymphocyte | IC50 | = | 960.0 | nM | 6.02 | 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