Compound Detail
CHEMBL109090
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Basic Information
| ChEMBL ID | CHEMBL109090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNXYGSAIPVHBOW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1179991 |
| Active Moiety | CHEMBL1179991 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
202.2
MW (Da)
1.59
ALogP
2
HBA
2
HBD
44.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.2
Ki 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydropteridine reductase CHEMBL3730 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| Dihydropteridine reductase CHEMBL2910 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Dihydropteridine reductase CHEMBL2910 | Ki | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydropteridine reductase | IC50 | = | 630.0 | nM | 6.2 | Inhibitory activity against human liver Dihydrodipicolinate reductase (DHPR) | 3871859 |
| Dihydropteridine reductase | IC50 | = | 1600.0 | nM | 5.8 | Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reduct... | 3871859 |
| Dihydropteridine reductase | Ki | = | 1900.0 | nM | 5.72 | Noncompetitive Inhibitory activity against rat striatal synaptosomal DHPR enzyme | 3871859 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3871859 | 10.1021/jm00381a009 | Dihydropteridine reductase | 3 |
Data from ChEMBL 36 via Core Engine