Compound Detail
CHEMBL38978
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 | CHEMBL38978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHMBGWUFEHRILC-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1204996 |
| Active Moiety | CHEMBL1204996 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
5.85
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Ki 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | Ki | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 20.0 | nM | 7.7 | Ability to inhibit proliferation in human lymphocytes by mixed lymphocyte reacti... | - |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | Ki | = | 50.0 | nM | 7.3 | Inhibition measurement of orotate formation from radiolabeled dihydroorotate, us... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00252-O | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| - | 10.1016/0960-894X(95)00252-O | ADMET | 1 |
Data from ChEMBL 36 via Core Engine