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Ligand

NameCHEMBL149326
Molecular formulaC37H39Cl2N3O2S
IUPAC name3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-[(S)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-2-ethyl-N-methylnaphthalene-1-carboxamide
Molecular weight660.698
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP7.9
SynonymsBDBM50138823
3-Cyano-2-ethyl-naphthalene-1-carboxylic acid ((S)-2-(3,4-dichloro-phenyl)-4-{4-[2-((S)-methanesulfinyl)-phenyl]-piperidin-1-yl}-butyl)-methyl-amide
Inchi KeyNSRJRZGIVAVYNI-UDKJZQBVSA-N
Inchi IDInChI=1S/C37H39Cl2N3O2S/c1-4-30-29(23-40)21-27-9-5-6-11-32(27)36(30)37(43)41(2)24-28(26-13-14-33(38)34(39)22-26)17-20-42-18-15-25(16-19-42)31-10-7-8-12-35(31)45(3)44/h5-14,21-22,25,28H,4,15-20,24H2,1-3H3/t28-,45+/m1/s1
PubChem CID9874473
ChEMBLCHEMBL149326
IUPHARN/A
BindingDB50138823
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
231062Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
231061Substance-K receptorP21452TACR2Homo sapiens (Human)398
231063Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
231060Substance-P receptorP25103TACR1Homo sapiens (Human)407

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