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Ligand

NameCHEMBL474508
Molecular formulaC29H26F3N3OS
IUPAC name3-methyl-N-[(2S)-2-[(4-methyl-1,3-thiazol-5-yl)methylamino]-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
Molecular weight521.602
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP6.5
SynonymsSCHEMBL13591520
(S)-6-methyl-N-(2-((4-methylthiazol-5-yl)methylamino)-2,3-dihydro-1H-inden-5-yl)-4''-(trifluoromethyl)biphenyl-2-carboxamide
BDBM50277331
Inchi KeyCVZLQNNEWOTLBK-DEOSSOPVSA-N
Inchi IDInChI=1S/C29H26F3N3OS/c1-17-4-3-5-25(27(17)19-6-9-22(10-7-19)29(30,31)32)28(36)35-23-11-8-20-12-24(14-21(20)13-23)33-15-26-18(2)34-16-37-26/h3-11,13,16,24,33H,12,14-15H2,1-2H3,(H,35,36)/t24-/m0/s1
PubChem CID24797888
ChEMBLCHEMBL474508
IUPHARN/A
BindingDB50277331
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
51920Smoothened homologQ99835SMOHomo sapiens (Human)787
51921Smoothened homologP56726SmoMus musculus (Mouse)793

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