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Ligand

NameCHEMBL154145
Molecular formulaC21H25N5O2
IUPAC name4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one
Molecular weight379.464
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.1
Synonyms4-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
BDBM50097344
SCHEMBL7470315
4-[4-[4-(2-Pyrimidinyl)piperazino]butyl]-4,5-dihydro-1,4-benzoxazepine-5-one
Inchi KeyABUKAEDIXPYQSW-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25N5O2/c27-20-18-6-1-2-7-19(18)28-17-16-25(20)11-4-3-10-24-12-14-26(15-13-24)21-22-8-5-9-23-21/h1-2,5-9,16-17H,3-4,10-15H2
PubChem CID18328121
ChEMBLCHEMBL154145
IUPHARN/A
BindingDB50097344
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11915-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422

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