BLU-5937   

GtoPdb Ligand ID: 11232

Synonyms: BLU5937 | NEO5937 | P2X3 antagonist 34
Compound class: Synthetic organic
Comment: BLU-5937 is a clinical stage selective P2X3 antagonist [1]. It is being developed by Bellus, as a competitor to Merck's P2X3 inhibitor gefapixant.
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 75.94
Molecular weight 456.2
XLogP 4.73
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COC(=O)N1CCC[C@H](C1)Cc1c(nc2n1ccc(c2)C)c1c(F)cc(cc1F)C(=O)NC
Isomeric SMILES COC(=O)N1CCC[C@H](C1)Cc1c(nc2n1ccc(c2)C)c1c(F)cc(cc1F)C(=O)NC
InChI InChI=1S/C24H26F2N4O3/c1-14-6-8-30-19(10-15-5-4-7-29(13-15)24(32)33-3)22(28-20(30)9-14)21-17(25)11-16(12-18(21)26)23(31)27-2/h6,8-9,11-12,15H,4-5,7,10,13H2,1-3H3,(H,27,31)/t15-/m0/s1
InChI Key HHJIZLMOCIYWJF-HNNXBMFYSA-N
Classification
Compound class Synthetic organic
Synonyms
BLU5937 | NEO5937 | P2X3 antagonist 34
Database Links
GtoPdb PubChem SID 434122292
Search Google for chemical match using the InChIKey HHJIZLMOCIYWJF-HNNXBMFYSA-N
Search Google for chemicals with the same backbone HHJIZLMOCIYWJF
Search UniChem for chemical match using the InChIKey HHJIZLMOCIYWJF-HNNXBMFYSA-N
Search UniChem for chemicals with the same backbone HHJIZLMOCIYWJF