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Ligand

NameCHEMBL1915022
Molecular formulaC16H19N5OS
IUPAC name7-methoxy-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-amine
Molecular weight329.422
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.5
SynonymsSCHEMBL604680
BDBM50356833
Inchi KeyBFXKTIHIMJWWLN-VIFPVBQESA-N
Inchi IDInChI=1S/C16H19N5OS/c1-18-9-5-6-21(8-9)15-14-13(19-16(17)20-15)11-4-3-10(22-2)7-12(11)23-14/h3-4,7,9,18H,5-6,8H2,1-2H3,(H2,17,19,20)/t9-/m0/s1
PubChem CID57402512
ChEMBLCHEMBL1915022
IUPHARN/A
BindingDB50356833
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
22736Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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