Compound Detail
CHEMBL98517
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 | CHEMBL98517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PBGVAFUTEIUHFM-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
4.45
ALogP
5
HBA
1
HBD
76.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Ki 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor CHEMBL2094254 | Ki | 7.51 | 7.51 | 31.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor | Ki | = | 31.0 | nM | 7.51 | In vitro binding affinity against cysteinyl leukotriene D4 receptor from guinea ... | 2170649 |
| Cavia porcellus | IC50 | = | 250.0 | nM | 6.6 | Inhibition of leukotriene-induced contractions of peripheral guinea pig lung str... | 2170649 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2170649 | 10.1021/jm00172a024 | Cavia porcellus | 2 |
| 2170649 | 10.1021/jm00172a024 | Cysteinyl leukotriene receptor | 1 |
Data from ChEMBL 36 via Core Engine