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Name | CHEMBL323024 |
---|---|
Molecular formula | C29H38N6O6 |
IUPAC name | (2S,5S,13R)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-[(2-methylphenyl)methyl]-3,8,14-trioxo-1,4,9-triazacyclotetradecane-5-carboxamide |
Molecular weight | 566.659 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 7 |
XlogP | 0.4 |
Synonyms | BDBM50007330 13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2-(2-methyl-benzyl)-3,8,14-trioxo-1,4,9triaza-cyclotetradecane-5-carboxylic acid amide |
Inchi Key | ASBSMCWBIMOGPZ-XQUALCHDSA-N |
Inchi ID | InChI=1S/C29H38N6O6/c1-17-5-2-3-6-19(17)16-24-29(41)33-22(26(31)38)12-13-25(37)32-14-4-7-23(28(40)35-24)34-27(39)21(30)15-18-8-10-20(36)11-9-18/h2-3,5-6,8-11,21-24,36H,4,7,12-16,30H2,1H3,(H2,31,38)(H,32,37)(H,33,41)(H,34,39)(H,35,40)/t21-,22-,23+,24-/m0/s1 |
PubChem CID | 15088044 |
ChEMBL | CHEMBL323024 |
IUPHAR | N/A |
BindingDB | 50007330 |
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 |
---|---|---|---|---|---|
12983 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
12984 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
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