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Name | CHEMBL3349610 |
---|---|
Molecular formula | C52H71N11O10S2 |
IUPAC name | (4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide |
Molecular weight | 1074.33 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 13 |
XlogP | 1.9 |
Synonyms | N/A |
Inchi Key | AZWRXXBRHTVTIO-BILPEMFQSA-N |
Inchi ID | InChI=1S/C52H71N11O10S2/c1-28(2)41-50(72)60-40(49(71)62-42(29(3)64)44(55)66)27-74-75-52(4,5)43(63-45(67)35(54)23-30-13-7-6-8-14-30)51(73)59-38(24-31-18-20-33(65)21-19-31)47(69)58-39(25-32-26-56-36-16-10-9-15-34(32)36)48(70)57-37(46(68)61-41)17-11-12-22-53/h6-10,13-16,18-21,26,28-29,35,37-43,56,64-65H,11-12,17,22-25,27,53-54H2,1-5H3,(H2,55,66)(H,57,70)(H,58,69)(H,59,73)(H,60,72)(H,61,68)(H,62,71)(H,63,67)/t29-,35-,37+,38+,39-,40+,41+,42+,43+/m1/s1 |
PubChem CID | 118718465 |
ChEMBL | CHEMBL3349610 |
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 |
---|---|---|---|---|---|
442382 | Somatostatin receptor type 1 | P30872 | SSTR1 | Homo sapiens (Human) | 391 |
442383 | Somatostatin receptor type 2 | P30874 | SSTR2 | Homo sapiens (Human) | 369 |
442384 | Somatostatin receptor type 3 | P32745 | SSTR3 | Homo sapiens (Human) | 418 |
442381 | Somatostatin receptor type 4 | P31391 | SSTR4 | Homo sapiens (Human) | 388 |
442385 | Somatostatin receptor type 5 | P35346 | SSTR5 | Homo sapiens (Human) | 364 |
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