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Ligand

NameCHEMBL1915024
Molecular formulaC16H16F3N5O
IUPAC name4-[(3S)-3-aminopiperidin-1-yl]-9-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
Molecular weight351.333
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP2.6
SynonymsSCHEMBL604433
BDBM50356835
Inchi KeyBNAXSGLGACVHDB-QMMMGPOBSA-N
Inchi IDInChI=1S/C16H16F3N5O/c17-16(18,19)9-4-1-5-10-11(9)12-13(25-10)14(23-15(21)22-12)24-6-2-3-8(20)7-24/h1,4-5,8H,2-3,6-7,20H2,(H2,21,22,23)/t8-/m0/s1
PubChem CID24826519
ChEMBLCHEMBL1915024
IUPHARN/A
BindingDB50356835
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
27929Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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