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Name | Cgp-23996 |
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Molecular formula | C73H99N15O18 |
IUPAC name | (2S,8S,11S,14S,17S,23S,29S,32S)-2,17-bis(4-aminobutyl)-5-(2-amino-2-oxoethyl)-8,11-dibenzyl-20,26-bis[(1R)-1-hydroxyethyl]-29-(hydroxymethyl)-23-[(4-hydroxyphenyl)methyl]-14-(1H-indol-3-ylmethyl)-3,6,9,12,15,18,21,24,27,30,38-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecazacyclooctatriacontane-32-carboxylic acid |
Molecular weight | 1474.68 |
Hydrogen bond acceptor | 20 |
Hydrogen bond donor | 20 |
XlogP | -0.8 |
Synonyms | 1-Des-ala-2-desamino-gly-3-cys-11-tyr-3,14-dicarbasomatostatin GTPL2005 86170-12-9 CGP23996 Somatostatin, des-ala(1)-desamino-gly(2)-cys(3)-tyr(11)-dicarba(3,14)- [ Show all ] |
Inchi Key | HTEPNQQGQXAYEW-YQENAMKYSA-N |
Inchi ID | InChI=1S/C73H99N15O18/c1-41(90)61-71(103)85-55(36-45-28-30-47(92)31-29-45)69(101)88-62(42(2)91)72(104)86-58(40-89)70(102)80-52(73(105)106)26-10-5-11-27-60(94)78-50(24-14-16-32-74)63(95)84-57(38-59(76)93)68(100)82-53(34-43-18-6-3-7-19-43)65(97)81-54(35-44-20-8-4-9-21-44)66(98)83-56(37-46-39-77-49-23-13-12-22-48(46)49)67(99)79-51(64(96)87-61)25-15-17-33-75/h3-4,6-9,12-13,18-23,28-31,39,41-42,50-58,61-62,77,89-92H,5,10-11,14-17,24-27,32-38,40,74-75H2,1-2H3,(H2,76,93)(H,78,94)(H,79,99)(H,80,102)(H,81,97)(H,82,100)(H,83,98)(H,84,95)(H,85,103)(H,86,104)(H,87,96)(H,88,101)(H,105,106)/t41-,42-,50+,51+,52+,53+,54+,55+,56+,57?,58+,61?,62?/m1/s1 |
PubChem CID | 16130961 |
ChEMBL | N/A |
IUPHAR | 2005 |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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553904 | Somatostatin receptor type 1 | P30872 | SSTR1 | Homo sapiens (Human) | 391 |
553908 | Somatostatin receptor type 2 | P30874 | SSTR2 | Homo sapiens (Human) | 369 |
553905 | Somatostatin receptor type 3 | P32745 | SSTR3 | Homo sapiens (Human) | 418 |
553907 | Somatostatin receptor type 4 | P31391 | SSTR4 | Homo sapiens (Human) | 388 |
553906 | Somatostatin receptor type 5 | P35346 | SSTR5 | Homo sapiens (Human) | 364 |
553909 | Somatostatin receptor type 5 | O08858 | Sstr5 | Mus musculus (Mouse) | 362 |
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