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Ligand

NameCHEMBL1398111
Molecular formulaC24H23N3O3S
IUPAC name1-[(4-ethoxyphenyl)methyl]-3-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea
Molecular weight433.526
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.9
SynonymsN-(4-ethoxybenzyl)-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea
MCULE-5375039601
AKOS001893950
NCGC00119982-01
E006-0281
[ Show all ]
Inchi KeyAAJYPLYCMHMOJW-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H23N3O3S/c1-3-30-18-11-8-16(9-12-18)15-25-24(29)26-17-10-13-22-20(14-17)27(2)23(28)19-6-4-5-7-21(19)31-22/h4-14H,3,15H2,1-2H3,(H2,25,26,29)
PubChem CID16016711
ChEMBLCHEMBL1398111
IUPHARN/A
BindingDBN/A
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
462995Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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