Compound Detail
CHEMBL108967
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Basic Information
| ChEMBL ID | CHEMBL108967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIGCUVKCMPXMAZ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
189.3
MW (Da)
2.11
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.58
Ki 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydropteridine reductase CHEMBL2910 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Dihydropteridine reductase CHEMBL3730 | Ki | 5.55 | 5.55 | 2800.0 | 1 |
| Dihydropteridine reductase CHEMBL3730 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydropteridine reductase | IC50 | = | 2600.0 | nM | 5.58 | Inhibitory activity against rat striatal synaptosomes Dihydrodipicolinate reduct... | 3871859 |
| Dihydropteridine reductase | Ki | = | 2800.0 | nM | 5.55 | Noncompetitive Iinhibitory activity against human liver DHPR enzyme | 3871859 |
| Dihydropteridine reductase | IC50 | = | 3000.0 | nM | 5.52 | Inhibitory activity against human liver Dihydrodipicolinate reductase (DHPR) | 3871859 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3871859 | 10.1021/jm00381a009 | Dihydropteridine reductase | 3 |
| 8809158 | 10.1021/jm9603882 | Amine oxidase [flavin-containing] B | 2 |
| 3879267 | 10.1021/np50042a002 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine