Compound Detail
CHEMBL3694253
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Basic Information
| ChEMBL ID | CHEMBL3694253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQYMMMMIAASALW-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
4.14
ALogP
3
HBA
1
HBD
34.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase CHEMBL3486 | IC50 | 7.38 | 7.2433 | 42.0 | 3 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL3988598 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Dihydroorotate dehydrogenase, mitochondrial, putative CHEMBL3988602 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase | IC50 | = | 42.0 | nM | 7.38 | Enzymatic Assays: Type 2 DHODH activity was monitored with either the direct ass... | - |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 60.0 | nM | 7.22 | Enzymatic Assays: Type 2 DHODH activity was monitored with either the direct ass... | - |
| Dihydroorotate dehydrogenase | IC50 | = | 64.0 | nM | 7.19 | Enzymatic Assays: Type 2 DHODH activity was monitored with either the direct ass... | - |
| Dihydroorotate dehydrogenase | IC50 | = | 70.0 | nM | 7.16 | Enzymatic Assays: Type 2 DHODH activity was monitored with either the direct ass... | - |
| Dihydroorotate dehydrogenase, mitochondrial, putative | IC50 | = | 420.0 | nM | 6.38 | Enzymatic Assays: Type 2 DHODH activity was monitored with either the direct ass... | - |
Data from ChEMBL 36 via Core Engine