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Ligand

NameCHEMBL540148
Molecular formulaC31H39IN4O6S
IUPAC namepropan-2-yl 5-[[(2S)-3-(4-hydroxyphenyl)-1-[[(3S)-1-[(4-hydroxyphenyl)methyl]-1-methylpiperidin-1-ium-3-yl]amino]-1-oxopropan-2-yl]carbamoylamino]thiophene-2-carboxylate;iodide
Molecular weight722.639
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogPNone
SynonymsN/A
Inchi KeyASIDMQKXUIKLCY-ZIIGJBQBSA-N
Inchi IDInChI=1S/C31H38N4O6S.HI/c1-20(2)41-30(39)27-14-15-28(42-27)34-31(40)33-26(17-21-6-10-24(36)11-7-21)29(38)32-23-5-4-16-35(3,19-23)18-22-8-12-25(37)13-9-22;/h6-15,20,23,26H,4-5,16-19H2,1-3H3,(H4-,32,33,34,36,37,38,39,40);1H/t23-,26-,35?;/m0./s1
PubChem CID45266474
ChEMBLCHEMBL540148
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13173Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
13175Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
13174Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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