Compound Detail
CHEMBL5095224
ELIAPIXANT 🧪 Phase II
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🧪 Phase II
Cc1cnc(-c2cc(O[C@@H]3CCOC3)cc(C(=O)N[C@H](C)c3cnc(C(F)(F)F)nc3)c2)s1
Basic Information
| ChEMBL ID | CHEMBL5095224 |
| Name | ELIAPIXANT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | GTQPEQGDLVSFJO-CXAGYDPISA-N |
3
Targets
13
Activities
1
Assay Types
0
PK Parameters
3
Publications
4
Known Names
7
Indications
Molecular Properties
478.5
MW (Da)
4.59
ALogP
7
HBA
1
HBD
86.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Cough Endometriosis Urinary Bladder, Overactive Chronic Cough Diabetic Neuropathies Neuralgia Pain
Activity Summary
IC50 13 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| P2X purinoceptor 3 CHEMBL2998 | IC50 | 8.1 | 7.7829 | 8.0 | 7 |
| P2X purinoceptor 2 CHEMBL2531 | IC50 | 6.79 | 6.79 | 163.0 | 2 |
| P2X2/P2X3 heterotrimeric receptor CHEMBL3831281 | IC50 | 6.79 | 6.3425 | 163.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35849939 | 10.1016/j.ejmech.2022.114556 | P2X purinoceptor 3 | 1 |
| 39102524 | 10.1021/acs.jmedchem.4c01214 | P2X purinoceptor 3 | 1 |
| 39102524 | 10.1021/acs.jmedchem.4c01214 | P2X2/P2X3 heterotrimeric receptor | 1 |
Data from ChEMBL 36 via Core Engine