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Name | CHEMBL132776 |
---|---|
Molecular formula | C31H43N7O8 |
IUPAC name | (2S)-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide |
Molecular weight | 641.726 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 9 |
XlogP | -0.4 |
Synonyms | BDBM50281550 (S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid ((S)-1-carbamoyl-2-hydroxy-ethyl)-amide |
Inchi Key | AAKKFHPDZYQOJN-QORCZRPOSA-N |
Inchi ID | InChI=1S/C31H43N7O8/c1-18(2)12-23(30(45)38-25(17-39)28(33)43)37-31(46)24(14-19-6-4-3-5-7-19)36-27(42)16-34-26(41)15-35-29(44)22(32)13-20-8-10-21(40)11-9-20/h3-11,18,22-25,39-40H,12-17,32H2,1-2H3,(H2,33,43)(H,34,41)(H,35,44)(H,36,42)(H,37,46)(H,38,45)/t22-,23-,24-,25-/m0/s1 |
PubChem CID | 44354005 |
ChEMBL | CHEMBL132776 |
IUPHAR | N/A |
BindingDB | 50281550 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
270 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
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