Compound Detail
CHEMBL2178105
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 | CHEMBL2178105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLIGEWIXHNVIFO-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
371.7
MW (Da)
5.38
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.61
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| Dihydroorotate dehydrogenase CHEMBL3486 | IC50 | 5.71 | 5.71 | 1930.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.06 | 4.83 | 8740.0 | 2 |
| Jurkat CHEMBL397 | IC50 | 4.36 | 4.36 | 43540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 340.0 | nM | 6.47 | Inhibition of human DHODH expressed in Escherichia coli BL21(DE3) using L-dihydr... | 22984987 |
| Dihydroorotate dehydrogenase | IC50 | = | 1930.0 | nM | 5.71 | Inhibition of Plasmodium falciparum DHODH expressed in Escherichia coli BL21 (DE... | 22984987 |
| NON-PROTEIN TARGET | IC50 | = | 8740.0 | nM | 5.06 | Immunosuppressive activity in ICR mouse B cells assessed as inhibition of LPS-st... | 22984987 |
| NON-PROTEIN TARGET | IC50 | = | 25380.0 | nM | 4.6 | Immunosuppressive activity in mouse T cells assessed as inhibition of two way mi... | 22984987 |
| Jurkat | IC50 | = | 43540.0 | nM | 4.36 | Cytotoxicity against human Jurkat cells after 4 days by MTT assay | 22984987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22984987 | 10.1021/jm300630p | NON-PROTEIN TARGET | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 22984987 | 10.1021/jm300630p | Jurkat | 1 |
| 22984987 | 10.1021/jm300630p | Dihydroorotate dehydrogenase | 1 |
| 22984987 | 10.1021/jm300630p | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine