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Ligand

NameCHEMBL2381082
Molecular formulaC27H26F3N3O3S
IUPAC name(5-methylsulfonyl-2-phenylphenyl)-[(6S)-6-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone
Molecular weight529.578
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.9
SynonymsSCHEMBL16267083
Inchi KeyAHGOELWGQXYWHB-FQEVSTJZSA-N
Inchi IDInChI=1S/C27H26F3N3O3S/c1-37(35,36)21-8-9-22(18-5-3-2-4-6-18)23(13-21)25(34)33-17-26(11-12-26)14-20(33)16-32-24-10-7-19(15-31-24)27(28,29)30/h2-10,13,15,20H,11-12,14,16-17H2,1H3,(H,31,32)/t20-/m0/s1
PubChem CID71602415
ChEMBLCHEMBL2381082
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5525Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
5524Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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