camlipixant   Click here for help

GtoPdb Ligand ID: 11232

Synonyms: BLU-5937 | BLU5937 | NEO5937 | P2X3 antagonist 34
Compound class: Synthetic organic
Comment: Camlipixant (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.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 83.47
Molecular weight 458.46
XLogP 1.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC1=CC2=NC(=C(C[C@H]3CN(CCO3)C(=O)OC)N2C=C1)C4=C(C=C(C=C4F)C(=O)NC)F
Isomeric SMILES CC1=CC2=NC(=C(N2C=C1)C[C@H]3CN(CCO3)C(=O)OC)C4=C(C=C(C=C4F)C(=O)NC)F
InChI InChI=1S/C23H24F2N4O4/c1-13-4-5-29-18(11-15-12-28(6-7-33-15)23(31)32-3)21(27-19(29)8-13)20-16(24)9-14(10-17(20)25)22(30)26-2/h4-5,8-10,15H,6-7,11-12H2,1-3H3,(H,26,30)/t15-/m0/s1
InChI Key SEHLMRJSQFAPCJ-HNNXBMFYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
methyl (2S)-2-[[2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate
International Nonproprietary Names Click here for help
INN number INN
12188 camlipixant
Synonyms Click here for help
BLU-5937 | BLU5937 | NEO5937 | P2X3 antagonist 34
Database Links Click here for help
CAS Registry No. 1621164-74-6 (source: WHO INN record)
ChEMBL Ligand CHEMBL5095035
GtoPdb PubChem SID 434122292
PubChem CID 76955630
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UniChem Compound Search for chemical match using the InChIKey SEHLMRJSQFAPCJ-HNNXBMFYSA-N
UniChem Connectivity Search for chemical match using the InChIKey SEHLMRJSQFAPCJ-HNNXBMFYSA-N