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Ligand

NameCHEMBL1076624
Molecular formulaC34H44F2N4O6
IUPAC name[(4S,4aS,8aR)-2-[(2S)-3-(6-methoxypyridin-3-yl)-2-methylpropyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-4-yl]-[4-(3,4-difluorophenyl)piperazin-1-yl]methanone;(E)-but-2-enedioic acid
Molecular weight642.745
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeySCJCAKLZCWCCCO-HTCZGZADSA-N
Inchi IDInChI=1S/C30H40F2N4O2.C4H4O4/c1-21(15-22-7-10-29(38-2)33-17-22)18-34-19-23-5-3-4-6-25(23)26(20-34)30(37)36-13-11-35(12-14-36)24-8-9-27(31)28(32)16-24;5-3(6)1-2-4(7)8/h7-10,16-17,21,23,25-26H,3-6,11-15,18-20H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t21-,23-,25-,26+;/m0./s1
PubChem CID46880586
ChEMBLCHEMBL1076624
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3108555-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
310851Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
310857D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
310847Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391
310856Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
310849Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
310852Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369
310850Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
310854Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
310848Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
310853Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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