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Ligand

NameCHEMBL1097065
Molecular formulaC21H30N4O3
IUPAC name1-[(2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-pyridin-2-yloxypyrrolidin-1-yl]ethanone
Molecular weight386.496
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP1.5
SynonymsBDBM50317689
SCHEMBL4326962
1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-(pyridin-2-yloxy)pyrrolidin-1-yl)ethanone
Inchi KeyAIJVNDQEJSKHQU-RBUKOAKNSA-N
Inchi IDInChI=1S/C21H30N4O3/c1-16(26)25-15-18(28-20-8-2-3-9-22-20)14-19(25)21(27)24-11-5-10-23(12-13-24)17-6-4-7-17/h2-3,8-9,17-19H,4-7,10-15H2,1H3/t18-,19+/m0/s1
PubChem CID44598903
ChEMBLCHEMBL1097065
IUPHARN/A
BindingDB50317689
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
6290Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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