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Ligand

NameCHEMBL3652596
Molecular formulaC18H16BrClN4O3S
IUPAC nameN-[4-(2-aminoethoxy)-3-(4-chloro-2-methylpyrazol-3-yl)phenyl]-2-(4-bromothiophen-2-yl)-2-oxoacetamide
Molecular weight483.765
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.0
SynonymsBDBM117020
US8664258, 77
Inchi KeyACVPBIAKHSWASO-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16BrClN4O3S/c1-24-16(13(20)8-22-24)12-7-11(2-3-14(12)27-5-4-21)23-18(26)17(25)15-6-10(19)9-28-15/h2-3,6-9H,4-5,21H2,1H3,(H,23,26)
PubChem CID77014405
ChEMBLCHEMBL3652596
IUPHARN/A
BindingDB117020
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
19765-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471

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