Compound Detail
CHEMBL4848840
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Basic Information
| ChEMBL ID | CHEMBL4848840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIRGYLPPCCUTOD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
436.4
MW (Da)
4.06
ALogP
6
HBA
1
HBD
93.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-2 CHEMBL5880 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.46 | 6.46 | 345.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 5673.46 | ng.hr.mL-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-2 | IC50 | = | 34.0 | nM | 7.47 | Inhibition of PHA-stimulated IL2 secretion in human Jurkat T cells preincubated ... | 34843241 |
| Unchecked | IC50 | = | 345.0 | nM | 6.46 | Inhibition of SOCE in human Jurkat E6.1 cells preincubated for 10 to 30 mins in ... | 34843241 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34843241 | 10.1021/acs.jmedchem.1c01403 | Interleukin-2 | 1 |
| 34843241 | 10.1021/acs.jmedchem.1c01403 | Unchecked | 1 |
| 34843241 | 10.1021/acs.jmedchem.1c01403 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine