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Ligand

NameCHEMBL60559
Molecular formulaC24H31N3O3S
IUPAC name(2R)-2-amino-1-[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
Molecular weight441.59
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.5
SynonymsBDBM50220452
Inchi KeyAXEYQIQVIRZLKE-JOCHJYFZSA-N
Inchi IDInChI=1S/C24H31N3O3S/c25-22(16-18-8-15-31-17-18)24(29)27-12-10-26(11-13-27)9-1-14-30-21-6-4-20(5-7-21)23(28)19-2-3-19/h4-8,15,17,19,22H,1-3,9-14,16,25H2/t22-/m1/s1
PubChem CID44304313
ChEMBLCHEMBL60559
IUPHARN/A
BindingDB50220452
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16637Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
16638Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
16639Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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