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Ligand

NameCHEMBL564536
Molecular formulaC29H38ClN5O3S
IUPAC namepropan-2-yl N-[3-chloro-5-[1-[[6-[2-(5-ethyl-4-methyl-1,3-thiazol-2-yl)ethyl]-4-morpholin-4-ylpyridin-2-yl]amino]ethyl]phenyl]carbamate
Molecular weight572.165
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP6.4
SynonymsJ-115814
Carbamic acid, N-(3-chloro-5-(1-((6-(2-(5-ethyl-4-methyl-2-thiazolyl)ethyl)-4-(4-morpholinyl)-2-pyridinyl)amino)ethyl)phenyl)-, 1-methylethyl ester
isopropyl 3-chloro-5-(1-(6-(2-(5-ethyl-4-methylthiazol-2-yl)ethyl)-4-morpholinopyridin-2-ylamino)ethyl)phenylcarbamate
BDBM50296002
J-115814, (+/-)-
[ Show all ]
Inchi KeyAZGZXUZMWKHDDH-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H38ClN5O3S/c1-6-26-20(5)32-28(39-26)8-7-23-16-25(35-9-11-37-12-10-35)17-27(33-23)31-19(4)21-13-22(30)15-24(14-21)34-29(36)38-18(2)3/h13-19H,6-12H2,1-5H3,(H,31,33)(H,34,36)
PubChem CID9959777
ChEMBLCHEMBL564536
IUPHARN/A
BindingDB50296002
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
18147Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384

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