Compound Detail
CHEMBL1922666
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
Cc1ccc(COc2ccc3c(c2)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n3Cc2ccc(-c3ccccn3)cc2)nc1
Basic Information
| ChEMBL ID | CHEMBL1922666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGAVYVQBJKBLTG-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
593.8
MW (Da)
8.58
ALogP
6
HBA
1
HBD
77.2
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase-activating protein CHEMBL4550 | IC50 | 9.22 | 8.2167 | 0.6 | 3 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase-activating protein | IC50 | = | 0.6 | nM | 9.22 | Inhibition of FLAP in human peripheral leukocytes assessed as inhibition of calc... | 22059882 |
| Arachidonate 5-lipoxygenase-activating protein | IC50 | = | 1.3 | nM | 8.89 | Displacement of [3H]-3-[5-(pyrid-2-ylmethoxy)-3-tert-butylthio-1-benzylindol-2-y... | 22059882 |
| Arachidonate 5-lipoxygenase-activating protein | IC50 | = | 285.0 | nM | 6.54 | Inhibition of FLAP in human whole blood assessed as inhibition of calcium ionoph... | 22059882 |
| Prostaglandin G/H synthase 1 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of COX1-mediated TXB2 production in human whole blood after 30 mins b... | 22059882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22059882 | 10.1021/jm2008369 | Arachidonate 5-lipoxygenase-activating protein | 4 |
| 22059882 | 10.1021/jm2008369 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine