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Ligand

NameCHEMBL42472
Molecular formulaC26H29NO4
IUPAC name2-(2,6-dimethoxyphenoxy)-N-[[(2S,4R)-4-phenyl-3,4-dihydro-2H-chromen-2-yl]methyl]ethanamine
Molecular weight419.521
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50409690
Inchi KeyDASDCIRXSWKVTA-RBBKRZOGSA-N
Inchi IDInChI=1S/C26H29NO4/c1-28-24-13-8-14-25(29-2)26(24)30-16-15-27-18-20-17-22(19-9-4-3-5-10-19)21-11-6-7-12-23(21)31-20/h3-14,20,22,27H,15-18H2,1-2H3/t20-,22+/m0/s1
PubChem CID11742834
ChEMBLCHEMBL42472
IUPHARN/A
BindingDB50409690
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
553015-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
55299Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
55302Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
55298Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
55303Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
55300Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
55304Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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