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Ligand

NameAMG-076 free base
Molecular formulaC26H33F3N2O2
IUPAC name1-[2-[(4aR,11R,11aS)-11-methyl-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]ethyl]cyclohexane-1-carboxylic acid
Molecular weight462.557
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.8
Synonyms(4aR)-2-[2-(1-Carboxycyclohexyl)ethyl]-2,3,4,4abeta,5,6,11,11aalpha-octahydro-9-(trifluoromethyl)-11alpha-methyl-1H-pyrido[4,3-b]carbazole
Cyclohexanecarboxylic acid, 1-(2-((4aR,11R,11aS)-1,3,4,4a,5,6,11,11a-octahydro-11-methyl-9-(trifluoromethyl)-2H-pyrido(4,3-b)carbazol-2-yl)ethyl)-
693823-79-9
HX4T7JEV3D
1-(2-((4aR,11R,11aS)-11-methyl-9-(trifluoromethyl)-3,4,4a,5,11,11a-hexahydro-1H-pyrido[4,3-b]carbazol-2(6H)-yl)ethyl)cyclohexanecarboxylic acid
[ Show all ]
Inchi KeyWAOZNBXSEVIAGX-MBOZVWFJSA-N
Inchi IDInChI=1S/C26H33F3N2O2/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33)/t16-,17-,20-/m1/s1
PubChem CID10004545
ChEMBLCHEMBL2032049
IUPHARN/A
BindingDB50383522
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 15
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3687805-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
3687765-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
3687725-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
368781Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
368783Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
368774D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
368782D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
368775Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
368779Melanin-concentrating hormone receptor 1P97639Mchr1Rattus norvegicus (Rat)353
368784Melanin-concentrating hormone receptor 1Q8MJ89MCHR1Macaca mulatta (Rhesus macaque)388
368786Melanin-concentrating hormone receptor 1Q8JZL2Mchr1Mus musculus (Mouse)353
368785Melanin-concentrating hormone receptor 2Q969V1MCHR2Homo sapiens (Human)340
368778Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
368773Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
368777Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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