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Ligand

NameCHEMBL2314768
Molecular formulaC18H21FN6
IUPAC name6-(4-fluorophenyl)-7-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine
Molecular weight340.406
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.3
SynonymsBDBM50424317
Inchi KeyAEGRTUFQJWZVMR-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21FN6/c1-23-7-9-25(10-8-23)17-14-11-15(12-3-5-13(19)6-4-12)24(2)16(14)21-18(20)22-17/h3-6,11H,7-10H2,1-2H3,(H2,20,21,22)
PubChem CID71519499
ChEMBLCHEMBL2314768
IUPHARN/A
BindingDB50424317
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
3453Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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