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Name | CHEMBL414717 |
---|---|
Molecular formula | C74H97N15O15S2 |
IUPAC name | (4R,7S,10R,13S,16R,19S,22S,25S,28R,31R,34S)-34-amino-31-(4-aminobutyl)-25,28-dibenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-13-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-19-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carboxamide |
Molecular weight | 1500.8 |
Hydrogen bond acceptor | 20 |
Hydrogen bond donor | 19 |
XlogP | 2.8 |
Synonyms | BDBM50159415 D0BE3D Des-AA1,2,5-[D-Trp8,IAmp9,Tyr11]Cbm-SRIF |
Inchi Key | CLYXKNIFFVWQGI-HXVVHKOFSA-N |
Inchi ID | InChI=1S/C74H97N15O15S2/c1-41(2)78-36-48-24-22-46(23-25-48)33-57-70(100)88-62(42(3)91)73(103)85-58(34-47-26-28-50(93)29-27-47)71(101)89-63(43(4)92)74(104)86-60(38-90)72(102)87-61(64(77)94)40-106-105-39-52(76)65(95)80-54(21-13-14-30-75)66(96)81-55(31-44-15-7-5-8-16-44)67(97)82-56(32-45-17-9-6-10-18-45)68(98)84-59(69(99)83-57)35-49-37-79-53-20-12-11-19-51(49)53/h5-12,15-20,22-29,37,41-43,52,54-63,78-79,90-93H,13-14,21,30-36,38-40,75-76H2,1-4H3,(H2,77,94)(H,80,95)(H,81,96)(H,82,97)(H,83,99)(H,84,98)(H,85,103)(H,86,104)(H,87,102)(H,88,100)(H,89,101)/t42-,43-,52-,54-,55-,56+,57+,58+,59+,60+,61+,62-,63-/m1/s1 |
PubChem CID | 44388092 |
ChEMBL | CHEMBL414717 |
IUPHAR | N/A |
BindingDB | 50159415 |
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 |
---|---|---|---|---|---|
45122 | Somatostatin receptor type 1 | P30872 | SSTR1 | Homo sapiens (Human) | 391 |
45124 | Somatostatin receptor type 2 | P30874 | SSTR2 | Homo sapiens (Human) | 369 |
45126 | Somatostatin receptor type 3 | P32745 | SSTR3 | Homo sapiens (Human) | 418 |
45125 | Somatostatin receptor type 4 | P31391 | SSTR4 | Homo sapiens (Human) | 388 |
45123 | Somatostatin receptor type 5 | P35346 | SSTR5 | Homo sapiens (Human) | 364 |
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