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Name | CHEMBL577345 |
---|---|
Molecular formula | C76H95FN14O19 |
IUPAC name | (4S)-4-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-2-methylpropanoyl]amino]-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-[4-(2-methylphenyl)phenyl]-1-oxopropan-2-yl]amino]-3-[4-(2-ethyl-4-methoxyphenyl)phenyl]-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(2-fluorophenyl)-2-methyl-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid |
Molecular weight | 1527.67 |
Hydrogen bond acceptor | 22 |
Hydrogen bond donor | 18 |
XlogP | -0.9 |
Synonyms | BDBM50301952 |
Inchi Key | FQOJQWPQOOFFLK-SWNSGIGISA-N |
Inchi ID | InChI=1S/C76H95FN14O19/c1-9-45-32-50(110-8)26-27-52(45)47-24-20-44(21-25-47)31-57(68(103)83-56(65(79)100)30-43-18-22-46(23-19-43)51-16-12-10-14-40(51)2)84-69(104)58(34-62(98)99)85-70(105)59(38-92)86-71(106)63(41(3)93)89-74(109)76(7,35-48-15-11-13-17-53(48)77)91-72(107)64(42(4)94)88-60(95)37-81-67(102)55(28-29-61(96)97)87-73(108)75(5,6)90-66(101)54(78)33-49-36-80-39-82-49/h10-27,32,36,39,41-42,54-59,63-64,92-94H,9,28-31,33-35,37-38,78H2,1-8H3,(H2,79,100)(H,80,82)(H,81,102)(H,83,103)(H,84,104)(H,85,105)(H,86,106)(H,87,108)(H,88,95)(H,89,109)(H,90,101)(H,91,107)(H,96,97)(H,98,99)/t41-,42-,54+,55+,56+,57+,58+,59+,63+,64+,76+/m1/s1 |
PubChem CID | 45485585 |
ChEMBL | CHEMBL577345 |
IUPHAR | N/A |
BindingDB | 50301952 |
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 |
---|---|---|---|---|---|
84903 | Gastric inhibitory polypeptide receptor | P48546 | GIPR | Homo sapiens (Human) | 466 |
84904 | Glucagon receptor | P47871 | GCGR | Homo sapiens (Human) | 477 |
84900 | Glucagon-like peptide 1 receptor | P43220 | GLP1R | Homo sapiens (Human) | 463 |
84901 | Glucagon-like peptide 1 receptor | O35659 | Glp1r | Mus musculus (Mouse) | 463 |
84902 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
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