Compound Detail
CHEMBL4869449
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Basic Information
| ChEMBL ID | CHEMBL4869449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGWWIUJXDNEVGX-CDBKTPPVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
2.25
ALogP
6
HBA
3
HBD
104.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Splenocyte CHEMBL612422 | IC50 | 4.99 | 4.98 | 10300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Splenocyte | IC50 | = | 10300.0 | nM | 4.99 | Immunosuppressive activity in BALB/c mouse splenocytes assessed as inhibition of... | 33544615 |
| Splenocyte | IC50 | = | 10600.0 | nM | 4.97 | Immunosuppressive activity in BALB/c mouse splenocytes assessed as inhibition of... | 33544615 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33544615 | 10.1021/acs.jnatprod.0c01344 | T-cell | 14 |
| 33544615 | 10.1021/acs.jnatprod.0c01344 | Splenocyte | 3 |
Data from ChEMBL 36 via Core Engine