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Ligand

NameRS 39604
Molecular formulaC26H36ClN3O6S
IUPAC nameN-[2-[4-[3-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-oxopropyl]piperidin-1-yl]ethyl]methanesulfonamide
Molecular weight554.099
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.1
SynonymsUNII-0RP0I19CSC
0RP0I19CSC
CHEBI:64083
RS-39604
GNF-Pf-5475
[ Show all ]
Inchi KeyBKVIWGRFRKLFIO-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H36ClN3O6S/c1-34-20-12-19(13-21(14-20)35-2)17-36-26-16-24(28)23(27)15-22(26)25(31)5-4-18-6-9-30(10-7-18)11-8-29-37(3,32)33/h12-16,18,29H,4-11,17,28H2,1-3H3
PubChem CID5145950
ChEMBLCHEMBL66114
IUPHARN/A
BindingDB82273
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
262035-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
262015-hydroxytryptamine receptor 4O70528HTR4Cavia porcellus (Guinea pig)388
262045-hydroxytryptamine receptor 4Q62758Htr4Rattus norvegicus (Rat)406
555589Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
26205B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353
26206D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
555588D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
459445Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
26202Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
26207Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466

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