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Name | CHEMBL410198 |
---|---|
Molecular formula | C64H84ClN13O15 |
IUPAC name | (7R,15R,24S)-15-[[(2R,9R)-14-acetamido-2-[(4-chlorophenyl)methyl]-3,11,15-trioxo-1,4,10-triazacyclopentadecane-9-carbonyl]amino]-24-(2-methylpropyl)-21-(naphthalen-2-ylmethyl)-2,8,13,16,19,22,25,32-octaoxo-3,9,12,17,20,23,26,31-octazatricyclo[16.8.8.03,7]tetratriacontane-11-carboxylic acid |
Molecular weight | 1310.9 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 13 |
XlogP | 1.7 |
Synonyms | tricyclo(1-3/4-10/5-8)Ac-D-Glu-D-Cpa-D-Lys-Asp-Glu-D-Nal-Leu-Lys-Pro-Dpr-NH2 BDBM50085762 |
Inchi Key | BBCJRCCNKFCRKB-OMVRXUMFSA-N |
Inchi ID | InChI=1S/C64H84ClN13O15/c1-35(2)29-46-59(87)73-45-14-7-8-26-66-52(80)24-22-44(58(86)76-48(60(88)74-46)32-38-16-19-39-11-4-5-12-40(39)30-38)72-61(89)49(33-54(82)71-50(64(92)93)34-68-62(90)51-15-10-28-78(51)63(45)91)77-56(84)42-13-6-9-27-67-55(83)47(31-37-17-20-41(65)21-18-37)75-57(85)43(69-36(3)79)23-25-53(81)70-42/h4-5,11-12,16-21,30,35,42-51H,6-10,13-15,22-29,31-34H2,1-3H3,(H,66,80)(H,67,83)(H,68,90)(H,69,79)(H,70,81)(H,71,82)(H,72,89)(H,73,87)(H,74,88)(H,75,85)(H,76,86)(H,77,84)(H,92,93)/t42-,43?,44?,45?,46+,47-,48?,49-,50?,51-/m1/s1 |
PubChem CID | 44379290 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50085762 |
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 |
---|---|---|---|---|---|
19384 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
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