Compound Detail
CHEMBL155771
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Basic Information
| ChEMBL ID | CHEMBL155771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBIBTBSDPZSTOE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
244.3
MW (Da)
3.31
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL4523950 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 6.15 | 6.15 | 709.0 | 1 |
| SF-295 CHEMBL614908 | IC50 | 4.69 | 4.69 | 20460.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.21 | 4.21 | 62130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 23.0 | nM | 7.64 | Inhibition of Schistosoma mansoni DHODH using DHO as substrate measured at 4 sec... | 30776695 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 709.0 | nM | 6.15 | Inhibition of human DHODH using DHO as substrate measured at 4 secs interval for... | 30776695 |
| SF-295 | IC50 | = | 20460.0 | nM | 4.69 | Cytotoxicity against human SF295 cells after 72 hrs by MTT assay | 21115213 |
| HL-60 | IC50 | = | 62130.0 | nM | 4.21 | Cytotoxicity against human promyelocytic leukemia HL60 cell line by MTT assay | 17249647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30776695 | 10.1016/j.ejmech.2019.02.018 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 5 |
| 21820768 | 10.1016/j.ejmech.2011.07.026 | Mycobacterium tuberculosis | 3 |
| 6993681 | 10.1021/jm00180a003 | Plasmodium berghei | 1 |
| 6993681 | 10.1021/jm00180a003 | No relevant target | 1 |
| 17249647 | 10.1021/jm060849b | No relevant target | 1 |
| 17249647 | 10.1021/jm060849b | HL-60 | 1 |
| 21115213 | 10.1016/j.ejmech.2010.11.006 | PBMC | 1 |
| 21115213 | 10.1016/j.ejmech.2010.11.006 | HL-60 | 1 |
| 21115213 | 10.1016/j.ejmech.2010.11.006 | MDA-MB-435 | 1 |
| 21115213 | 10.1016/j.ejmech.2010.11.006 | HCT-8 | 1 |
| 21115213 | 10.1016/j.ejmech.2010.11.006 | SF-295 | 1 |
| 21820768 | 10.1016/j.ejmech.2011.07.026 | PBMC | 1 |
| 30776695 | 10.1016/j.ejmech.2019.02.018 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine