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Ligand

NameCHEMBL212530
Molecular formulaC39H45F3N4O5
IUPAC name(2R)-N-(3-aminocyclohexyl)-1-[(2S)-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
Molecular weight706.807
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyAJBNNKUOBSHORY-ZUPGYTDKSA-N
Inchi IDInChI=1S/C37H44N4O3.C2HF3O2/c38-30-19-10-20-31(25-30)39-35(43)32-21-11-24-41(32)36(44)33-22-12-23-40(33)34(42)26-37(27-13-4-1-5-14-27,28-15-6-2-7-16-28)29-17-8-3-9-18-29;3-2(4,5)1(6)7/h1-9,13-18,30-33H,10-12,19-26,38H2,(H,39,43);(H,6,7)/t30?,31?,32-,33+;/m1./s1
PubChem CID16086034
ChEMBLCHEMBL212530
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6752Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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