Compound Detail
CHEMBL3694254
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Basic Information
| ChEMBL ID | CHEMBL3694254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNLKPTOJCXLFDG-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
3.88
ALogP
4
HBA
1
HBD
32.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase CHEMBL3486 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Dihydroorotate dehydrogenase, mitochondrial, putative CHEMBL3988602 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL3988598 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase | IC50 | = | 250.0 | nM | 6.6 | Enzymatic Assays: Type 2 DHODH activity was monitored with either the direct ass... | - |
| Dihydroorotate dehydrogenase, mitochondrial, putative | IC50 | = | 280.0 | nM | 6.55 | Enzymatic Assays: Type 2 DHODH activity was monitored with either the direct ass... | - |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 380.0 | nM | 6.42 | Enzymatic Assays: Type 2 DHODH activity was monitored with either the direct ass... | - |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 7900.0 | nM | 5.1 | Enzymatic Assays: Type 2 DHODH activity was monitored with either the direct ass... | - |
Data from ChEMBL 36 via Core Engine