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Name | CHEMBL414071 |
---|---|
Molecular formula | C57H82ClN15O12 |
IUPAC name | (2S)-N-[(2S)-1-[[(2S)-3-(4-chlorophenyl)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2R)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide |
Molecular weight | 1204.83 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 14 |
XlogP | 0.6 |
Synonyms | N/A |
Inchi Key | KKFMONHKMJPGFO-LHYPIPNCSA-N |
Inchi ID | InChI=1S/C57H82ClN15O12/c1-6-62-55(84)46-10-8-22-73(46)56(85)39(9-7-21-63-57(59)60)66-49(78)40(23-31(2)3)67-50(79)41(24-32(4)5)68-51(80)42(26-34-13-17-37(75)18-14-34)70-54(83)45(29-74)72-52(81)43(25-33-11-15-35(58)16-12-33)69-53(82)44(27-36-28-61-30-64-36)71-48(77)38-19-20-47(76)65-38/h11-18,28,30-32,38-46,74-75H,6-10,19-27,29H2,1-5H3,(H,61,64)(H,62,84)(H,65,76)(H,66,78)(H,67,79)(H,68,80)(H,69,82)(H,70,83)(H,71,77)(H,72,81)(H4,59,60,63)/t38-,39-,40-,41+,42-,43-,44-,45-,46+/m0/s1 |
PubChem CID | 44350486 |
ChEMBL | CHEMBL414071 |
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 |
---|---|---|---|---|---|
171105 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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