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Ligand

NameCHEMBL215180
Molecular formulaC37H41F3N4O4
IUPAC name(2R)-1-[(2S,4R)-4-hydroxy-1-[3,3,3-tris(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonyl]-N-(piperidin-4-ylmethyl)pyrrolidine-2-carboxamide
Molecular weight662.754
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP4.3
Synonyms(2R)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-fluorophenyl)propanoyl]pyrrolidine-2-yl)carbonyl-N-(4-piperidinylmethyl)pyrrolidine-2-carboxamide
BDBM50194640
CNPFYHSXAKKLOF-SLGZMBILSA-N
(2R)-1-((2S,4R)-4-hydroxy-1-{3,3,3-tris(4-fluorophenyl)propanoyl}pyrrolidin-2-yl)carbonyl-N-(4-piperidylmethyl)pyrrolidine-2-carboxamide
SCHEMBL4579250
Inchi KeyCNPFYHSXAKKLOF-SLGZMBILSA-N
Inchi IDInChI=1S/C37H41F3N4O4/c38-28-9-3-25(4-10-28)37(26-5-11-29(39)12-6-26,27-7-13-30(40)14-8-27)21-34(46)44-23-31(45)20-33(44)36(48)43-19-1-2-32(43)35(47)42-22-24-15-17-41-18-16-24/h3-14,24,31-33,41,45H,1-2,15-23H2,(H,42,47)/t31-,32-,33+/m1/s1
PubChem CID16086059
ChEMBLCHEMBL215180
IUPHARN/A
BindingDB50194640
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
46232Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
46230Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
46233Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
46228Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
46229Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
46227Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479
46231Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532

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