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Ligand

NameMLS000552833
Molecular formulaC34H38N4O5
IUPAC name2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)acetamide
Molecular weight582.701
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP5.0
SynonymsHMS2425D04
ASN 04882375
MLS002536592
CHEMBL1463367
SMR000172871
[ Show all ]
Inchi KeyCLVMGLHYNADTTO-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H38N4O5/c1-22(39)36-26-14-16-27(17-15-26)38(32(40)20-24-21-35-29-12-8-7-11-28(24)29)33(34(41)37-25-9-5-4-6-10-25)23-13-18-30(42-2)31(19-23)43-3/h7-8,11-19,21,25,33,35H,4-6,9-10,20H2,1-3H3,(H,36,39)(H,37,41)
PubChem CID3190761
ChEMBLCHEMBL1463367
IUPHARN/A
BindingDB83313
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
450495-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
45050Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
45048Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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