Compound Detail
CHEMBL3593805
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CC(=O)Nc1cccc(COc2ccc(-c3ccc(-c4nc5c(C(=O)O)cc(C)cc5[nH]4)cc3)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL3593805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTDUFUQSAFTQOL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
491.6
MW (Da)
6.44
ALogP
4
HBA
3
HBD
104.3
PSA (Ų)
0.24
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 28.0 | nM | 7.55 | Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincu... | 26088338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26088338 | 10.1016/j.bmc.2015.05.051 | Poly [ADP-ribose] polymerase 1 | 1 |
| 26088338 | 10.1016/j.bmc.2015.05.051 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine