Compound Detail
CHEMBL38614
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Basic Information
| ChEMBL ID | CHEMBL38614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODILYAYKQDDXJJ-UHFFFAOYSA-N |
3
Targets
3
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
5.84
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.14
IC50 1 meas. best 6.3
Ki 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Vesicular stomatitis virus CHEMBL613739 | EC50 | 5.14 | 5.14 | 7200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | Ki | = | 29.0 | nM | 7.54 | Inhibition measurement of orotate formation from radiolabeled dihydroorotate, us... | - |
| ADMET | IC50 | = | 500.0 | nM | 6.3 | Ability to inhibit proliferation in human lymphocytes by mixed lymphocyte reacti... | - |
| Vesicular stomatitis virus | EC50 | = | 7200.0 | nM | 5.14 | Antiviral activity against VSV infected in MDCK cells assessed as inhibition of ... | 23930152 |
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 |
| 23930152 | 10.1021/ml300464h | Vesicular stomatitis virus | 1 |
Data from ChEMBL 36 via Core Engine