Compound Detail
CHEMBL108680
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Basic Information
| ChEMBL ID | CHEMBL108680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMANHDLOMVZIQZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
2.13
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydropteridine reductase CHEMBL3730 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
| Dihydropteridine reductase CHEMBL2910 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydropteridine reductase | IC50 | = | 27000.0 | nM | 4.57 | Inhibitory activity against human liver Dihydrodipicolinate reductase (DHPR) | 3871859 |
| Dihydropteridine reductase | IC50 | = | 44000.0 | nM | 4.36 | Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reduct... | 3871859 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3871859 | 10.1021/jm00381a009 | Dihydropteridine reductase | 2 |
Data from ChEMBL 36 via Core Engine