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Ligand

NameCHEMBL357908
Molecular formulaC39H43Cl2N3O2S
IUPAC name3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-[(S)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-N-methyl-2-(2-methylpropyl)naphthalene-1-carboxamide
Molecular weight688.752
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP8.7
SynonymsN/A
Inchi KeyMRZCGYOVOILRJR-REVLRVEDSA-N
Inchi IDInChI=1S/C39H43Cl2N3O2S/c1-26(2)21-34-31(24-42)22-29-9-5-6-11-33(29)38(34)39(45)43(3)25-30(28-13-14-35(40)36(41)23-28)17-20-44-18-15-27(16-19-44)32-10-7-8-12-37(32)47(4)46/h5-14,22-23,26-27,30H,15-21,25H2,1-4H3/t30-,47+/m1/s1
PubChem CID11193283
ChEMBLCHEMBL357908
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
212824Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
212823Substance-P receptorP25103TACR1Homo sapiens (Human)407

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