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Ligand

NameCHEMBL48456
Molecular formulaC29H39ClN4O3S
IUPAC namepropan-2-yl N-[3-chloro-5-[[[6-[2-(5-ethyl-4-methyl-1,3-thiazol-2-yl)ethyl]-4-pentoxypyridin-2-yl]amino]methyl]phenyl]carbamate
Molecular weight559.166
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP8.0
SynonymsBDBM50142774
[3-Chloro-5-({6-[2-(5-ethyl-4-methyl-thiazol-2-yl)-ethyl]-4-pentyloxy-pyridin-2-ylamino}-methyl)-phenyl]-carbamic acid isopropyl ester
Inchi KeyAITMCGFJWPXKEX-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H39ClN4O3S/c1-6-8-9-12-36-25-16-23(10-11-28-32-20(5)26(7-2)38-28)33-27(17-25)31-18-21-13-22(30)15-24(14-21)34-29(35)37-19(3)4/h13-17,19H,6-12,18H2,1-5H3,(H,31,33)(H,34,35)
PubChem CID44294315
ChEMBLCHEMBL48456
IUPHARN/A
BindingDB50142774
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6511Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384

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