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Ligand

NameCHEMBL295615
Molecular formulaC35H40Cl2N2O6
IUPAC name[(2R)-2-(3,4-dichlorophenyl)-2-[2-[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethyl]morpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
Molecular weight655.613
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM50090485
spiro[(2-hydroxy)indane-1,40-piperidine] analogue
(2S)-1'-[2-[(2R)-2-(3,4-Dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholine-2-yl]ethyl]spiro[indan-1,4'-piperidine]-2-ol
Inchi KeyOXPHGFUXQGFKRJ-ZJJOJAIXSA-N
Inchi IDInChI=1S/C35H40Cl2N2O6/c1-42-29-18-24(19-30(43-2)32(29)44-3)33(41)39-16-17-45-35(22-39,25-8-9-27(36)28(37)21-25)12-15-38-13-10-34(11-14-38)26-7-5-4-6-23(26)20-31(34)40/h4-9,18-19,21,31,40H,10-17,20,22H2,1-3H3/t31-,35-/m0/s1
PubChem CID11498370
ChEMBLCHEMBL295615
IUPHARN/A
BindingDB50090485
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
252732Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
252733Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
252734Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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