Compound Detail
CHEMBL4080882
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4080882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYSWAWXDFCYAMR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
309.9
MW (Da)
5.75
ALogP
4
HBA
0
HBD
12.9
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
| Fructose-1,6-bisphosphatase 1 CHEMBL3975 | IC50 | 5.57 | 5.57 | 2680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 560.0 | nM | 6.25 | Inhibition of quorum sensing LasI synthase in Pseudomonas aeruginosa PAO1 harbor... | 27977197 |
| Fructose-1,6-bisphosphatase 1 | IC50 | = | 2680.0 | nM | 5.57 | Inhibition of wild-type full-length human liver FBPase expressed in Escherichia ... | 32711108 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27977197 | 10.1021/acs.jmedchem.6b01025 | Pseudomonas aeruginosa | 4 |
| 27977197 | 10.1021/acs.jmedchem.6b01025 | Unchecked | 3 |
| 27977197 | 10.1021/acs.jmedchem.6b01025 | HTH-type quorum-sensing regulator RhlR | 2 |
| 27977197 | 10.1021/acs.jmedchem.6b01025 | RAW264.7 | 2 |
| 32711108 | 10.1016/j.ejmech.2020.112500 | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine