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Ligand

NameCHEMBL452925
Molecular formulaC18H20ClN5O
IUPAC name6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
Molecular weight357.842
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.3
SynonymsVUF-10457
BDBM50412508
Inchi KeyBKGSNELMPDFQCW-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20ClN5O/c1-23-6-8-24(9-7-23)18-21-16-5-4-13(19)11-15(16)17(22-18)20-12-14-3-2-10-25-14/h2-5,10-11H,6-9,12H2,1H3,(H,20,21,22)
PubChem CID25178345
ChEMBLCHEMBL452925
IUPHARN/A
BindingDB50412508
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
25760Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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