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Ligand

NameCHEMBL95868
Molecular formulaC24H27NO5
IUPAC name(1S,2S,3S)-2-[1-amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl]-3-butylcyclopropane-1-carboxylic acid
Molecular weight409.482
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP1.8
SynonymsBDBM50072177
(1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl)-ethyl]-3-butyl-cyclopropanecarboxylic acid
Inchi KeySNDLXDNVZFYFQU-CHYAVIAWSA-N
Inchi IDInChI=1S/C24H27NO5/c1-2-3-8-16-20(22(26)27)21(16)24(25,23(28)29)13-17-14-9-4-6-11-18(14)30-19-12-7-5-10-15(17)19/h4-7,9-12,16-17,20-21H,2-3,8,13,25H2,1H3,(H,26,27)(H,28,29)/t16-,20+,21+,24?/m1/s1
PubChem CID44328753
ChEMBLCHEMBL95868
IUPHARN/A
BindingDB50072177
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
318417Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
318419Metabotropic glutamate receptor 2P31421Grm2Rattus norvegicus (Rat)872
318415Metabotropic glutamate receptor 3P31422Grm3Rattus norvegicus (Rat)879
318413Metabotropic glutamate receptor 4Q14833GRM4Homo sapiens (Human)912
318416Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212
318414Metabotropic glutamate receptor 7Q14831GRM7Homo sapiens (Human)915
318418Metabotropic glutamate receptor 8O00222GRM8Homo sapiens (Human)908

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