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Name | CHEMBL437260 |
---|---|
Molecular formula | C88H86F4N16O12 |
IUPAC name | ethyl 3-[[benzyl-[2-[[(2S)-1-[3-[3-[3-[[(2S)-2-[[2-[benzyl-[[8-[(2,6-difluorophenyl)methyl]-6-ethoxycarbonyl-2-[4-(ethylcarbamoylamino)phenyl]-5-oxoimidazo[1,2-a]pyrimidin-3-yl]methyl]amino]acetyl]amino]propanoyl]amino]prop-1-ynyl]phenyl]prop-2-ynylamino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]methyl]-8-[(2,6-difluorophenyl)methyl]-2-[4-(ethylcarbamoylamino)phenyl]-5-oxoimidazo[1,2-a]pyrimidine-6-carboxylate |
Molecular weight | 1635.75 |
Hydrogen bond acceptor | 22 |
Hydrogen bond donor | 8 |
XlogP | 9.5 |
Synonyms | BDBM50376882 |
Inchi Key | ABRSXEGOPVFFGV-ATMVKLMESA-N |
Inchi ID | InChI=1S/C88H86F4N16O12/c1-7-93-85(117)99-63-38-34-61(35-39-63)77-73(107-81(113)67(83(115)119-9-3)49-105(87(107)101-77)47-65-69(89)30-18-31-70(65)90)51-103(45-59-22-13-11-14-23-59)53-75(109)97-55(5)79(111)95-42-20-28-57-26-17-27-58(44-57)29-21-43-96-80(112)56(6)98-76(110)54-104(46-60-24-15-12-16-25-60)52-74-78(62-36-40-64(41-37-62)100-86(118)94-8-2)102-88-106(48-66-71(91)32-19-33-72(66)92)50-68(82(114)108(74)88)84(116)120-10-4/h11-19,22-27,30-41,44,49-50,55-56H,7-10,42-43,45-48,51-54H2,1-6H3,(H,95,111)(H,96,112)(H,97,109)(H,98,110)(H2,93,99,117)(H2,94,100,118)/t55-,56-/m0/s1 |
PubChem CID | 44451474 |
ChEMBL | CHEMBL437260 |
IUPHAR | N/A |
BindingDB | 50376882 |
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. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
1110 | Gonadotropin-releasing hormone receptor | P30968 | GNRHR | Homo sapiens (Human) | 328 |
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