Compound Detail
CHEMBL3936398
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
CCn1c(=O)cc(Nc2ccc(Oc3ccnc(C(=O)OC)c3)cc2)n(Cc2ccc(Cl)cc2)c1=O
Basic Information
| ChEMBL ID | CHEMBL3936398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAGLKYQMOXIBDS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
506.9
MW (Da)
4.45
ALogP
9
HBA
1
HBD
104.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 3 | IC50 | = | 9.0 | nM | 8.05 | Inhibition Assay: Stably expressing cell line (C6BU-1 cell transfected with huma... | - |
Data from ChEMBL 36 via Core Engine