Compound Detail
CHEMBL5836522
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 | CHEMBL5836522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAMKJBBPVAYUEF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
521.0
MW (Da)
5.67
ALogP
7
HBA
2
HBD
98.4
PSA (Ų)
0.33
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 8.3 | 7.51 | 5.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 3 | IC50 | = | 5.0 | nM | 8.3 | Receptor Inhibition Assay: Stably expressing cell line (C6BU-1 cell transfected ... | - |
| P2X purinoceptor 3 | IC50 | = | 191.0 | nM | 6.72 | Receptor Inhibition Assay: Stably expressing cell line (C6BU-1 cell transfected ... | - |
Data from ChEMBL 36 via Core Engine