Compound Detail
CHEMBL3342944
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
O=C(O)c1ccc(OCCCc2ccc(OCCCCOC3CCCCC3)cc2)c(C(=O)NC2CCCC(C(=O)O)C2)c1
Basic Information
| ChEMBL ID | CHEMBL3342944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRJWSEPIRZRGCL-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
595.7
MW (Da)
6.28
ALogP
6
HBA
3
HBD
131.4
PSA (Ų)
0.19
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 2 CHEMBL4330 | IC50 | 8.42 | 7.7533 | 3.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 2 | IC50 | = | 3.8 | nM | 8.42 | Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibi... | 26200813 |
| Cysteinyl leukotriene receptor 2 | IC50 | = | 38.0 | nM | 7.42 | Antagonist activity at human CysLT2 receptor expressed in HEK293 cells assessed ... | 25408836 |
| Cysteinyl leukotriene receptor 2 | IC50 | = | 38.0 | nM | 7.42 | Antagonist activity against CysLT2 receptor (unknown origin) expressed in HEK293... | 26985325 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | Fibroblast | 7 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 5 |
| - | 10.6019/CHEMBL5308504 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5308504 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5308504 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5308504 | Peregrin | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5308504 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 1 |
| 25408836 | 10.1021/ml500298y | Cysteinyl leukotriene receptor 2 | 1 |
| - | 10.6019/CHEMBL5303304 | U2OS | 1 |
| 26985325 | 10.1021/acsmedchemlett.5b00482 | Cysteinyl leukotriene receptor 1 | 1 |
| 26985325 | 10.1021/acsmedchemlett.5b00482 | Cysteinyl leukotriene receptor 2 | 1 |
| 26200813 | 10.1021/acs.jmedchem.5b00741 | Cysteinyl leukotriene receptor 2 | 1 |
| 26200813 | 10.1021/acs.jmedchem.5b00741 | Cysteinyl leukotriene receptor 1 | 1 |
| 25408836 | 10.1021/ml500298y | Cysteinyl leukotriene receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine