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Ligand

NameCHEMBL3037938
Molecular formulaC54H58Cl2N4O4
IUPAC name(1S,9R,16S,18R,19R,20S,21S,29R,36S,38R,39R,40S)-15,35-bis[(4-methoxyphenyl)methyl]-10,30-dioxa-8,28-diaza-15,35-diazoniatridecacyclo[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022,27.029,39.033,38]tetratetraconta-2,4,6,12,22,24,26,32-octaene;dichloride
Molecular weight897.982
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogPNone
SynonymsN/A
Inchi KeyDOCLEVBRLZJPHB-DUNHHUDBSA-L
Inchi IDInChI=1S/C54H58N4O4.2ClH/c1-59-37-15-11-33(12-16-37)29-57-23-21-53-41-7-3-5-9-43(41)55-49(53)47-39(27-45(53)57)35(31-57)19-25-61-51(47)56-44-10-6-4-8-42(44)54-22-24-58(30-34-13-17-38(60-2)18-14-34)32-36-20-26-62-52(55)48(50(54)56)40(36)28-46(54)58;;/h3-20,39-40,45-52H,21-32H2,1-2H3;2*1H/q+2;;/p-2/t39-,40-,45-,46-,47+,48+,49-,50-,51+,52+,53+,54+,57?,58?;;/m0../s1
PubChem CID11468657
ChEMBLCHEMBL3037938
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
64885Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466

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