Compound Detail
CHEMBL3717944
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Basic Information
| ChEMBL ID | CHEMBL3717944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMSUCFQIHHDYRP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
404.6
MW (Da)
3.81
ALogP
5
HBA
2
HBD
87.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X2/P2X3 heterotrimeric receptor CHEMBL3831281 | Ki | 7.13 | 7.13 | 74.1 | 1 |
| P2X purinoceptor 3 CHEMBL4824 | Ki | 7.11 | 7.11 | 77.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| P2X2/P2X3 heterotrimeric receptor | Ki | = | 74.13 | nM | 7.13 | Antagonist activity against human P2X2/3 receptor expressed in CHOK1 cells asses... | - |
| P2X purinoceptor 3 | Ki | = | 77.62 | nM | 7.11 | Antagonist activity against rat P2X3 receptor expressed in CHOK1 cells assessed ... | - |
Data from ChEMBL 36 via Core Engine