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Ligand

NameCHEMBL591249
Molecular formulaC21H31ClN6O2S
IUPAC name6-chloro-2-(4-methylpiperazin-1-yl)-N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]quinazolin-4-amine
Molecular weight467.029
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50415484
Inchi KeyBCYXGFUHEVHSPR-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H31ClN6O2S/c1-16-5-3-4-9-28(16)31(29,30)14-8-23-20-18-15-17(22)6-7-19(18)24-21(25-20)27-12-10-26(2)11-13-27/h6-7,15-16H,3-5,8-14H2,1-2H3,(H,23,24,25)
PubChem CID46228994
ChEMBLCHEMBL591249
IUPHARN/A
BindingDB50415484
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
20696Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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