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Ligand

NameCHEMBL391710
Molecular formulaC28H31N3O3S
IUPAC nameN-[1-[[(2S)-1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclohexyl]-1-benzothiophene-2-carboxamide
Molecular weight489.634
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP5.4
SynonymsBDBM50002948
Inchi KeyBJFZOWDASYUVCS-QFIPXVFZSA-N
Inchi IDInChI=1S/C28H31N3O3S/c32-25(29-21-13-14-21)22(17-19-9-3-1-4-10-19)30-27(34)28(15-7-2-8-16-28)31-26(33)24-18-20-11-5-6-12-23(20)35-24/h1,3-6,9-12,18,21-22H,2,7-8,13-17H2,(H,29,32)(H,30,34)(H,31,33)/t22-/m0/s1
PubChem CID44434162
ChEMBLCHEMBL391710
IUPHARN/A
BindingDB50002948
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25046Substance-K receptorP21452TACR2Homo sapiens (Human)398

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