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Name | CHEMBL2369735 |
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Molecular formula | C56H68ClN13O9S2 |
IUPAC name | (4S,7R,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-7-[(1S)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-11-methyl-6,9,12,15,18-pentaoxo-16-(pyridin-3-ylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide |
Molecular weight | 1166.81 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 12 |
XlogP | 2.6 |
Synonyms | N/A |
Inchi Key | BOHSAABACOZNKD-HHBRSWSWSA-N |
Inchi ID | InChI=1S/C56H68ClN13O9S2/c1-31(71)48-55(78)68-46(52(75)64-42(49(60)72)24-34-27-62-40-13-5-3-11-37(34)40)30-81-80-29-45(67-50(73)39(59)22-32-16-18-36(57)19-17-32)53(76)65-43(23-33-10-9-21-61-26-33)51(74)66-44(25-35-28-63-41-14-6-4-12-38(35)41)56(79)70(2)47(54(77)69-48)15-7-8-20-58/h3-6,9-14,16-19,21,26-28,31,39,42-48,62-63,71H,7-8,15,20,22-25,29-30,58-59H2,1-2H3,(H2,60,72)(H,64,75)(H,65,76)(H,66,74)(H,67,73)(H,68,78)(H,69,77)/t31-,39-,42-,43-,44+,45-,46+,47-,48+/m0/s1 |
PubChem CID | 73350006 |
ChEMBL | CHEMBL2369735 |
IUPHAR | N/A |
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 |
---|---|---|---|---|---|
28804 | Somatostatin receptor type 1 | P30872 | SSTR1 | Homo sapiens (Human) | 391 |
28802 | Somatostatin receptor type 2 | P30874 | SSTR2 | Homo sapiens (Human) | 369 |
28805 | Somatostatin receptor type 3 | P32745 | SSTR3 | Homo sapiens (Human) | 418 |
28803 | Somatostatin receptor type 4 | P31391 | SSTR4 | Homo sapiens (Human) | 388 |
28806 | Somatostatin receptor type 5 | P35346 | SSTR5 | Homo sapiens (Human) | 364 |
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