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Ligand

NameCHEMBL398996
Molecular formulaC28H35N3O7S
IUPAC name1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(4-methylsulfonylbenzoyl)piperazin-2-one;formic acid
Molecular weight557.662
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogPNone
SynonymsN/A
Inchi KeyAFNIUHMJOXEVTF-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H33N3O5S.CH2O2/c1-36(33,34)25-11-5-20(6-12-25)27(32)29-17-18-30(26(31)19-29)22-7-9-23(10-8-22)35-24-13-15-28(16-14-24)21-3-2-4-21;2-1-3/h5-12,21,24H,2-4,13-19H2,1H3;1H,(H,2,3)
PubChem CID24749186
ChEMBLCHEMBL398996
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4293Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
4292Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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