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Ligand

NameMLS002554631
Molecular formulaC32H40N4O5
IUPAC name(1S,12bS)-3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N,N-diethyl-12b-methyl-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizine-1-carboxamide
Molecular weight560.695
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.6
SynonymsCHEMBL1699442
SMR001475926
Inchi KeyAORPOPFWTCCGSY-KIBXSGBWSA-N
Inchi IDInChI=1S/C32H40N4O5/c1-6-35(7-2)31(39)24-17-21(18-28(37)33-19-20-12-13-26(40-4)27(16-20)41-5)30(38)36-15-14-23-22-10-8-9-11-25(22)34-29(23)32(24,36)3/h8-13,16,21,24,34H,6-7,14-15,17-19H2,1-5H3,(H,33,37)/t21?,24-,32+/m1/s1
PubChem CID44263625
ChEMBLCHEMBL1699442
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10542Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413

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