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Ligand

NameCHEMBL146796
Molecular formulaC38H41Cl2N3O2S
IUPAC name3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-[(S)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-N-methyl-2-propylnaphthalene-1-carboxamide
Molecular weight674.725
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP8.4
SynonymsN/A
Inchi KeyDAUFYGNQIBAVIT-RTCKRUSPSA-N
Inchi IDInChI=1S/C38H41Cl2N3O2S/c1-4-9-32-30(24-41)22-28-10-5-6-12-33(28)37(32)38(44)42(2)25-29(27-14-15-34(39)35(40)23-27)18-21-43-19-16-26(17-20-43)31-11-7-8-13-36(31)46(3)45/h5-8,10-15,22-23,26,29H,4,9,16-21,25H2,1-3H3/t29-,46+/m1/s1
PubChem CID11227685
ChEMBLCHEMBL146796
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
55348Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
55347Substance-P receptorP25103TACR1Homo sapiens (Human)407

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