Compound Detail
CHEMBL5399532
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Basic Information
| ChEMBL ID | CHEMBL5399532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGYUDEVTOVZHBC-JTQLQIEISA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
464.8
MW (Da)
5.94
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| MOLM-13 CHEMBL3706572 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.06667 | hr | Mus musculus |
| T1/2 | 0.5167 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 13.0 | nM | 7.89 | Inhibition of human DHODH in MOLM-13 AML cells | 38505861 |
| MOLM-13 | IC50 | = | 46.0 | nM | 7.34 | Antiproliferative activity in human MOLM-13 AML cells assessed as reduction in c... | 38505861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38505861 | 10.1021/acsmedchemlett.3c00543 | ADMET | 2 |
| 38505861 | 10.1021/acsmedchemlett.3c00543 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 38505861 | 10.1021/acsmedchemlett.3c00543 | MOLM-13 | 1 |
Data from ChEMBL 36 via Core Engine