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Ligand

NameCHEMBL1210753
Molecular formulaC32H36F3N3O3S
IUPAC name(3R)-3-phenyl-N-[(1R)-6-[3-(propan-2-ylamino)prop-1-en-2-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
Molecular weight599.713
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP6.0
SynonymsSCHEMBL4154440
BDBM50322867
(R)-N-((R)-6-(3-(isopropylamino)prop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl)-3-phenyl-3-(3-(trifluoromethyl)phenylsulfonamido)propanamide
Inchi KeyAVACJPQOQGXSMI-LOYHVIPDSA-N
Inchi IDInChI=1S/C32H36F3N3O3S/c1-21(2)36-20-22(3)24-15-16-28-25(17-24)11-7-14-29(28)37-31(39)19-30(23-9-5-4-6-10-23)38-42(40,41)27-13-8-12-26(18-27)32(33,34)35/h4-6,8-10,12-13,15-18,21,29-30,36,38H,3,7,11,14,19-20H2,1-2H3,(H,37,39)/t29-,30-/m1/s1
PubChem CID46911684
ChEMBLCHEMBL1210753
IUPHARN/A
BindingDB50322867
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15124B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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