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Ligand

NameCHEMBL512692
Molecular formulaC21H31N5O2
IUPAC nameN-ethyl-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
Molecular weight385.512
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.7
SynonymsN/A
Inchi KeyBJFWREVOCITGCH-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H31N5O2/c1-4-22-20-16-13-18(27-2)19(28-3)14-17(16)23-21(24-20)26-11-7-15(8-12-26)25-9-5-6-10-25/h13-15H,4-12H2,1-3H3,(H,22,23,24)
PubChem CID44561559
ChEMBLCHEMBL512692
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
25044C-C chemokine receptor type 4P51679CCR4Homo sapiens (Human)360

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