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Ligand

NameCHEMBL306702
Molecular formulaC36H48N8O8S
IUPAC name(3S,6R,9S,12R,15S,18R)-18-amino-9-(4-aminobutyl)-15-benzyl-6-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacyclononadecane-3-carboxylic acid
Molecular weight752.888
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP-1.6
SynonymsBDBM50059088
(3S,6R,9S,12R,15S,18R)-18-Amino-9-(4-amino-butyl)-15-benzyl-6-((R)-1-hydroxy-ethyl)-12-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaaza-cyclononadecane-3-carboxylic acid
Inchi KeyUVIRGNNFCYBSOY-AVTGEJSLSA-N
Inchi IDInChI=1S/C36H48N8O8S/c1-20(45)30-35(50)43-29(36(51)52)19-53-18-24(38)31(46)41-27(15-21-9-3-2-4-10-21)33(48)42-28(16-22-17-39-25-12-6-5-11-23(22)25)34(49)40-26(32(47)44-30)13-7-8-14-37/h2-6,9-12,17,20,24,26-30,39,45H,7-8,13-16,18-19,37-38H2,1H3,(H,40,49)(H,41,46)(H,42,48)(H,43,50)(H,44,47)(H,51,52)/t20-,24+,26+,27+,28-,29-,30-/m1/s1
PubChem CID44311888
ChEMBLCHEMBL306702
IUPHARN/A
BindingDB50059088
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
346567Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
346566Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
346565Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
346568Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363

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