Compound Detail
CHEMBL1802259
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Basic Information
| ChEMBL ID | CHEMBL1802259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXTJIDAKPWEJCR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
208.3
MW (Da)
3.40
ALogP
2
HBA
0
HBD
25.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.04 | 5.04 | 9150.0 | 1 |
| Ribosyldihydronicotinamide dehydrogenase [quinone] CHEMBL3959 | IC50 | 4.87 | 4.87 | 13500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9150.0 | nM | 5.04 | Inhibition of NF-kappaB expressed in human HEK293 cells by luciferase reporter g... | 21105712 |
| Ribosyldihydronicotinamide dehydrogenase [quinone] | IC50 | = | 13500.0 | nM | 4.87 | Inhibition of human QR2 expressed in Escherichia coli BL21 (DE3) using MTT and N... | 21105712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21105712 | 10.1021/jm1011066 | NAD(P)H dehydrogenase [quinone] 1 | 2 |
| 21105712 | 10.1021/jm1011066 | Unchecked | 2 |
| 21105712 | 10.1021/jm1011066 | Ribosyldihydronicotinamide dehydrogenase [quinone] | 2 |
| 21105712 | 10.1021/jm1011066 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine