Compound Detail
CHEMBL60376
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Basic Information
| ChEMBL ID | CHEMBL60376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEONKCOBRZOYJS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
173.2
MW (Da)
1.85
ALogP
2
HBA
0
HBD
22.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ribosyldihydronicotinamide dehydrogenase [quinone] CHEMBL3959 | IC50 | 4.74 | 4.74 | 18200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ribosyldihydronicotinamide dehydrogenase [quinone] | IC50 | = | 18200.0 | nM | 4.74 | Inhibition of human quinone reductase 2 expressed in Escherichia coli BL21(DE3) ... | 19265439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19265439 | 10.1021/jm801335z | NON-PROTEIN TARGET | 2 |
| 3093680 | 10.1021/jm00160a038 | Aldo-keto reductase family 1 member B1 | 1 |
| 19265439 | 10.1021/jm801335z | Aromatase | 1 |
| 19265439 | 10.1021/jm801335z | Ribosyldihydronicotinamide dehydrogenase [quinone] | 1 |
| 19265439 | 10.1021/jm801335z | MCF7 | 1 |
| 19265439 | 10.1021/jm801335z | LNCaP | 1 |
| 21126022 | 10.1021/jm1010572 | Pteridine reductase 1 | 1 |
Data from ChEMBL 36 via Core Engine