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Ligand

NameCHEMBL553451
Molecular formulaC38H47Cl2N5O5
IUPAC name[(3R)-3-(3,4-dichlorophenyl)-3-[2-[4-(4-methylpiperazine-1-carbonyl)-4-pyridin-3-ylpiperidin-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Molecular weight724.724
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP5.0
SynonymsBDBM50290313
(1''-{2-[(R)-3-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-3-yl]-ethyl}-2'',3'',5'',6''-tetrahydro-1''H-[3,4'']bipyridinyl-4''-yl)-(4-methyl-piperazin-1-yl)-methanone; hydrochloride
CHEMBL1194867
Inchi KeyIVVCZKUEEUXLCC-QNGWXLTQSA-N
Inchi IDInChI=1S/C38H47Cl2N5O5/c1-42-18-20-44(21-19-42)36(47)38(29-6-5-13-41-25-29)11-15-43(16-12-38)14-9-37(28-7-8-30(39)31(40)24-28)10-17-45(26-37)35(46)27-22-32(48-2)34(50-4)33(23-27)49-3/h5-8,13,22-25H,9-12,14-21,26H2,1-4H3/t37-/m0/s1
PubChem CID44319084
ChEMBLN/A
IUPHARN/A
BindingDB50290313
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
143009Substance-K receptorP30549Tacr2Mus musculus (Mouse)384
143010Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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