Compound Detail
CHEMBL291851
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Basic Information
| ChEMBL ID | CHEMBL291851 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXCLNMLWTQWHFP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
316.1
MW (Da)
3.58
ALogP
2
HBA
3
HBD
90.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory activity against Fructose-1,6-bisphosphatase (F16BPase) in human live... | 12781194 |
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human recombinant FBPase using fructose-1,6-biphosphate as substra... | 22960695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30048589 | 10.1021/acs.jmedchem.7b01768 | Uracil nucleotide/cysteinyl leukotriene receptor | 2 |
| 12781194 | 10.1016/s0960-894x(03)00310-x | Unchecked | 1 |
| 22960695 | 10.1016/j.ejmech.2012.08.004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine