Compound Detail
CHEMBL5906924
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O=c1[nH]/c(=N\c2ccc(Oc3ccon3)cc2)n(Cc2ccc(Cl)cc2)c(=O)n1CC(CO)CO
Basic Information
| ChEMBL ID | CHEMBL5906924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQMBZHUDBVMIJM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
499.9
MW (Da)
1.65
ALogP
10
HBA
3
HBD
147.9
PSA (Ų)
0.32
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 3 CHEMBL4824 | IC50 | 8.52 | 8.11 | 3.0 | 2 |
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X purinoceptor 3 | IC50 | = | 3.0 | nM | 8.52 | Rat P2X3 Receptor Inhibition Assay: Rat P2X3 receptor gene (GenBank accession nu... | - |
| P2X purinoceptor 3 | IC50 | = | 4.0 | nM | 8.4 | Human P2X3 Receptor Inhibition Assay: Stably expressing cell line (C6BU-1 transf... | - |
| P2X purinoceptor 3 | IC50 | = | 20.0 | nM | 7.7 | Rat P2X3 Receptor Inhibition RSA Assay: Rat P2X3 receptor gene (GenBank accessio... | - |
Data from ChEMBL 36 via Core Engine