Compound Detail
CHEMBL331399
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL331399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPGHTVFKWOILQB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
280.2
MW (Da)
3.22
ALogP
3
HBA
2
HBD
64.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 4.77 | 4.58 | 17100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 17100.0 | nM | 4.77 | In vitro inhibitory activity against murine antibody response to T-cell independ... | 9719606 |
| Mus musculus | IC50 | = | 40500.0 | nM | 4.39 | In vitro inhibitory activity against mouse mixed lymphocyte reaction (MLR) | 9719606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9719606 | 10.1021/jm981028c | Mus musculus | 2 |
| 9719606 | 10.1021/jm981028c | Jurkat | 1 |
| 9719606 | 10.1021/jm981028c | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine