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Ligand

NameNSC-309874
Molecular formulaC26H23ClN2OS
IUPAC name3-chloro-N-[2-[[(1S)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenyl]-1-benzothiophene-2-carboxamide
Molecular weight446.993
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.6
SynonymsAC1MMYUE
CHEMBL1525179
CCG-37878
NCGC00014697
ZINC29590275
[ Show all ]
Inchi KeyACKAQJBYLPLIOW-QFIPXVFZSA-N
Inchi IDInChI=1S/C26H23ClN2OS/c1-29-15-14-17-8-2-4-10-19(17)22(29)16-18-9-3-6-12-21(18)28-26(30)25-24(27)20-11-5-7-13-23(20)31-25/h2-13,22H,14-16H2,1H3,(H,28,30)/t22-/m0/s1
PubChem CID3246616
ChEMBLCHEMBL1525179
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
1652Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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