Compound Detail
CHEMBL5201472
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Basic Information
| ChEMBL ID | CHEMBL5201472 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLGFOQIJXOCBRW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
483.9
MW (Da)
3.63
ALogP
8
HBA
2
HBD
102.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MOLM-13 CHEMBL3706572 | IC50 | 9.72 | 9.72 | 0.2 | 1 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL1966 | IC50 | 6.52 | 6.52 | 302.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 15000.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MOLM-13 | IC50 | = | 0.19 | nM | 9.72 | Antiproliferative activity against human MOLM-13 cells incubated for 72 hrs by C... | 35925768 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 302.0 | nM | 6.52 | Inhibition of His fused human DHODH expressed in Escherichia coli using DHO as s... | 35925768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35925768 | 10.1021/acs.jmedchem.2c00788 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 1 |
| 35925768 | 10.1021/acs.jmedchem.2c00788 | MOLM-13 | 1 |
| 35925768 | 10.1021/acs.jmedchem.2c00788 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine