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Ligand

NameCHEMBL515145
Molecular formulaC27H42N4O5
IUPAC name(3S,6S,9S,12S)-3-benzyl-9,12-bis[(2S)-butan-2-yl]-6-[(2S,3R)-3-hydroxybutan-2-yl]-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
Molecular weight502.656
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP3.4
Synonyms(3S,6S,9S,12S)-3-benzyl-9,12-di-sec-butyl-6-((2S,3R)-3-hydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-2,5,8,11-tetraone
BDBM50256665
Inchi KeyPCZVRCIZMAPKOI-HMHHHFJXSA-N
Inchi IDInChI=1S/C27H42N4O5/c1-7-15(3)21-25(34)30-22(16(4)8-2)26(35)31-23(17(5)18(6)32)27(36)28-20(24(33)29-21)14-19-12-10-9-11-13-19/h9-13,15-18,20-23,32H,7-8,14H2,1-6H3,(H,28,36)(H,29,33)(H,30,34)(H,31,35)/t15-,16-,17+,18+,20-,21-,22-,23-/m0/s1
PubChem CID25154747
ChEMBLCHEMBL515145
IUPHARN/A
BindingDB50256665
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
256754Galanin receptor type 1Q62805Galr1Rattus norvegicus (Rat)346
256753Galanin receptor type 2O08726Galr2Rattus norvegicus (Rat)372

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