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Ligand

NameCHEMBL99502
Molecular formulaC14H17BrN2O2
IUPAC nameN-[2-(3-bromo-4-methoxy-1H-indol-2-yl)ethyl]propanamide
Molecular weight325.206
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP2.8
SynonymsN-[2-(3-Bromo-4-methoxy-1H-indole-2-yl)ethyl]propionamide
Inchi KeyABRWEOGOQNKJGM-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H17BrN2O2/c1-3-12(18)16-8-7-10-14(15)13-9(17-10)5-4-6-11(13)19-2/h4-6,17H,3,7-8H2,1-2H3,(H,16,18)
PubChem CID10903463
ChEMBLCHEMBL99502
IUPHARN/A
BindingDBN/A
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: 2
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GLASS IDNameUniProtGeneSpeciesLength
1112Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
1111Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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