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Ligand

NameCHEMBL180049
Molecular formulaC27H39Cl2N3O2
IUPAC name(5S)-1-(cyclopropylmethyl)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-ethoxypiperidin-1-yl)azetidin-1-yl]ethyl]piperidin-2-one
Molecular weight508.528
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.6
SynonymsBDBM50410055
Inchi KeyLDXKTSXBTWBIRA-HHHXNRCGSA-N
Inchi IDInChI=1S/C27H39Cl2N3O2/c1-2-34-23-8-12-31(13-9-23)22-17-30(18-22)14-11-27(21-5-6-24(28)25(29)15-21)10-7-26(33)32(19-27)16-20-3-4-20/h5-6,15,20,22-23H,2-4,7-14,16-19H2,1H3/t27-/m1/s1
PubChem CID11038500
ChEMBLCHEMBL180049
IUPHARN/A
BindingDB50410055
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
185049Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
185050Substance-K receptorP21452TACR2Homo sapiens (Human)398

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