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Ligand

NameCHEMBL3349599
Molecular formulaC56H62N8O8
IUPAC name(3S,6S,9S,12R,15S,18S,20R)-9-(4-aminobutyl)-3,15-dibenzyl-20-hydroxy-12-(1H-indol-3-ylmethyl)-6-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Molecular weight975.16
Hydrogen bond acceptor9
Hydrogen bond donor8
XlogP5.5
SynonymsN/A
Inchi KeyBMFKYASADOKZMA-FPHBMCSYSA-N
Inchi IDInChI=1S/C56H62N8O8/c57-27-13-12-22-45-51(66)60-46(29-38-23-25-42(26-24-38)72-35-39-18-8-3-9-19-39)53(68)63-49(30-37-16-6-2-7-17-37)56(71)64-34-41(65)32-50(64)55(70)62-47(28-36-14-4-1-5-15-36)52(67)61-48(54(69)59-45)31-40-33-58-44-21-11-10-20-43(40)44/h1-11,14-21,23-26,33,41,45-50,58,65H,12-13,22,27-32,34-35,57H2,(H,59,69)(H,60,66)(H,61,67)(H,62,70)(H,63,68)/t41-,45+,46+,47+,48-,49+,50+/m1/s1
PubChem CID11136828
ChEMBLCHEMBL3349599
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This 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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
442729Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
442732Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
442730Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
442733Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
442731Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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