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Name | CID 44346805 |
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Molecular formula | C75H92N18O20 |
IUPAC name | 7-[[[(5S)-6-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-4-yl)-2-[(5-oxopyrrolidine-2-carbonyl)oxyamino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-oxohexyl]amino]methyl]-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid |
Molecular weight | 1565.67 |
Hydrogen bond acceptor | 24 |
Hydrogen bond donor | 20 |
XlogP | -1.9 |
Synonyms | N/A |
Inchi Key | PMIHBYVRQPZLRA-GZTIKPOLSA-N |
Inchi ID | InChI=1S/C75H92N18O20/c1-37(2)23-51(66(103)87-49(12-7-21-81-75(77)78)72(109)93-22-8-13-56(93)71(108)83-34-59(76)98)88-65(102)48(11-5-6-20-79-31-39-24-45-61(57(96)26-39)64(101)62-46(63(45)100)27-40(73(110)111)29-58(62)97)86-67(104)52(25-38-14-16-43(95)17-15-38)89-70(107)55(35-94)91-68(105)53(28-41-32-82-47-10-4-3-9-44(41)47)90-69(106)54(30-42-33-80-36-84-42)92-113-74(112)50-18-19-60(99)85-50/h3-4,9-10,14-17,24,26-27,29,32-33,36-37,48-56,79,82,92,94-97H,5-8,11-13,18-23,25,28,30-31,34-35H2,1-2H3,(H2,76,98)(H,80,84)(H,83,108)(H,85,99)(H,86,104)(H,87,103)(H,88,102)(H,89,107)(H,90,106)(H,91,105)(H,110,111)(H4,77,78,81)/t48-,49-,50?,51-,52-,53-,54-,55-,56-/m0/s1 |
PubChem CID | 44346805 |
ChEMBL | CHEMBL438099 |
IUPHAR | N/A |
BindingDB | 50105863 |
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 |
---|---|---|---|---|---|
263282 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
263283 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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