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Name | CHEMBL265879 |
---|---|
Molecular formula | C83H105ClN18O16 |
IUPAC name | (4S)-N-[4-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-6-(propan-2-ylamino)hexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-3-[4-(carbamoylamino)phenyl]-1-oxopropan-2-yl]amino]-3-oxopropyl]phenyl]-2,6-dioxo-1,3-diazinane-4-carboxamide |
Molecular weight | 1646.31 |
Hydrogen bond acceptor | 18 |
Hydrogen bond donor | 16 |
XlogP | 3.7 |
Synonyms | BDBM50170789 |
Inchi Key | ADFZDPBLXBNPSV-NYWLXXSZSA-N |
Inchi ID | InChI=1S/C83H105ClN18O16/c1-46(2)36-69(79(114)93-60(17-10-11-34-88-47(3)4)81(116)102-35-13-18-68(102)78(113)89-48(5)71(85)106)101(7)80(115)66(40-52-24-31-59(32-25-52)92-82(86)117)97-75(110)63(39-51-22-29-58(30-23-51)91-72(107)65-43-70(105)100-83(118)99-65)96-77(112)67(45-103)98-76(111)64(42-54-14-12-33-87-44-54)95-74(109)62(38-50-20-27-57(84)28-21-50)94-73(108)61(90-49(6)104)41-53-19-26-55-15-8-9-16-56(55)37-53/h8-9,12,14-16,19-33,37,44,46-48,60-69,88,103H,10-11,13,17-18,34-36,38-43,45H2,1-7H3,(H2,85,106)(H,89,113)(H,90,104)(H,91,107)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,110)(H,98,111)(H3,86,92,117)(H2,99,100,105,118)/t48-,60+,61-,62-,63+,64+,65+,66+,67+,68+,69+/m1/s1 |
PubChem CID | 44398047 |
ChEMBL | CHEMBL265879 |
IUPHAR | N/A |
BindingDB | 50170789 |
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 |
---|---|---|---|---|---|
2247 | Gonadotropin-releasing hormone receptor | P30968 | GNRHR | Homo sapiens (Human) | 328 |
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