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Ligand

NameCHEMBL3085403
Molecular formulaC15H22BrClN2O4
IUPAC name3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,5-dihydroxy-6-methoxybenzamide;hydrochloride
Molecular weight409.705
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogPNone
SynonymsBDBM50010644
(S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,5-dihydroxy-6-methoxy-benzamide; hydrochloride
Inchi KeyACETUMXAYKNQPZ-FVGYRXGTSA-N
Inchi IDInChI=1S/C15H21BrN2O4.ClH/c1-3-18-6-4-5-9(18)8-17-15(21)12-13(20)10(16)7-11(19)14(12)22-2;/h7,9,19-20H,3-6,8H2,1-2H3,(H,17,21);1H/t9-;/m0./s1
PubChem CID14668322
ChEMBLCHEMBL3085403
IUPHARN/A
BindingDB50010644
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
1488D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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