Compound Detail
CHEMBL3230382
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
CCCc1c(O)c(C(C)=O)cc([N+](=O)[O-])c1OCC(O)COc1ccc2c(O)c([N+](=O)[O-])c(=O)oc2c1C
Basic Information
| ChEMBL ID | CHEMBL3230382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQLGMVWFHROGDR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
532.5
MW (Da)
3.30
ALogP
12
HBA
3
HBD
212.7
PSA (Ų)
0.14
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ileum CHEMBL613680 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ileum | IC50 | = | 1600.0 | nM | 5.8 | Antagonism of slow reacting substance of anaphylaxis-induced effect in guinea pi... | 84871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 84871 | 10.1021/jm00188a007 | Ileum | 1 |
Data from ChEMBL 36 via Core Engine