Compound Detail
CHEMBL3694252
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Basic Information
| ChEMBL ID | CHEMBL3694252 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLBSNYYRLAWWDS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
4.94
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL3988598 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Dihydroorotate dehydrogenase CHEMBL3486 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| Dihydroorotate dehydrogenase, mitochondrial, putative CHEMBL3988602 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 110.0 | nM | 6.96 | Enzymatic Assays: Type 2 DHODH activity was monitored with either the direct ass... | - |
| Dihydroorotate dehydrogenase | IC50 | = | 340.0 | nM | 6.47 | Enzymatic Assays: Type 2 DHODH activity was monitored with either the direct ass... | - |
| Dihydroorotate dehydrogenase, mitochondrial, putative | IC50 | = | 510.0 | nM | 6.29 | Enzymatic Assays: Type 2 DHODH activity was monitored with either the direct ass... | - |
Data from ChEMBL 36 via Core Engine