Compound Detail
CHEMBL537985
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 | CHEMBL537985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVNRLEBGQSSGNB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1189049 |
| Active Moiety | CHEMBL1189049 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
3.81
ALogP
5
HBA
2
HBD
75.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 2500.0 | nM | 5.6 | Ability to prevent constrictions induced by SRS-A (slow reacting substance of an... | 6313920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6313920 | 10.1021/jm00365a016 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine