Compound Detail
CHEMBL5092899
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C[C@H](Oc1cc(-c2ccc3c(n2)NCCC3)c(F)cc1C(=O)Nc1c(F)cccc1Cl)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL5092899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFVJRANNYFMZIY-LBPRGKRZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
511.9
MW (Da)
6.62
ALogP
4
HBA
2
HBD
63.2
PSA (Ų)
0.38
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MOLM-13 CHEMBL3706572 | IC50 | 10.22 | 10.22 | 0.1 | 1 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MOLM-13 | IC50 | = | 0.06 | nM | 10.22 | Antiproliferative activity against human MOLM-13 cells assessed as reduction in ... | 35178168 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 0.202 | nM | 9.7 | Inhibition of human DHODH using dihydroorotate as substrate and CoQ6 as co-subst... | 35178168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35178168 | 10.1021/acsmedchemlett.2c00017 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 35178168 | 10.1021/acsmedchemlett.2c00017 | MOLM-13 | 1 |
Data from ChEMBL 36 via Core Engine