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Ligand

NameCHEMBL301475
Molecular formulaC25H26F3N3O4S
IUPAC name[2-[4-[[(E)-3-(1H-indol-3-yl)prop-2-enoyl]amino]butyl]-3,4-dihydro-1H-isoquinolin-7-yl] trifluoromethanesulfonate
Molecular weight521.555
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.8
SynonymsSCHEMBL7853940
SCHEMBL7855330
BDBM50217168
L017930
Trifluoromethanesulfonic acid 2-[4-[[(E)-3-(1H-indole-3-yl)acryloyl]amino]butyl]-1,2,3,4-tetrahydroisoquinoline-7-yl ester
Inchi KeyAFKRYMMWFODFAD-CSKARUKUSA-N
Inchi IDInChI=1S/C25H26F3N3O4S/c26-25(27,28)36(33,34)35-21-9-7-18-11-14-31(17-20(18)15-21)13-4-3-12-29-24(32)10-8-19-16-30-23-6-2-1-5-22(19)23/h1-2,5-10,15-16,30H,3-4,11-14,17H2,(H,29,32)/b10-8+
PubChem CID22132503
ChEMBLCHEMBL301475
IUPHARN/A
BindingDB50217168
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4244D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
4243D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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