Compound Detail
CHEMBL49572
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 | CHEMBL49572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDBHMTDVXARXCV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
522.6
MW (Da)
5.99
ALogP
7
HBA
2
HBD
119.4
PSA (Ų)
0.18
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor CHEMBL2094254 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor | IC50 | = | 80.0 | nM | 7.1 | In vitro inhibition of SRS-A-induced contractions in guinea pig ileum | 3027332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3027332 | 10.1021/jm00384a029 | Cavia porcellus | 2 |
| 3027332 | 10.1021/jm00384a029 | Cysteinyl leukotriene receptor | 1 |
Data from ChEMBL 36 via Core Engine