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Name | CHEMBL2371935 |
---|---|
Molecular formula | C37H44N4O6 |
IUPAC name | (2S)-2-[[(2S)-2-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-cyclohexylpropanoyl]amino]-3-phenylpropanoic acid |
Molecular weight | 640.781 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 5 |
XlogP | 3.1 |
Synonyms | N/A |
Inchi Key | AFTOYBSNHFSKRV-YRCZKMHPSA-N |
Inchi ID | InChI=1S/C37H44N4O6/c38-30(19-26-15-17-29(42)18-16-26)36(45)41-23-28-14-8-7-13-27(28)22-33(41)35(44)39-31(20-24-9-3-1-4-10-24)34(43)40-32(37(46)47)21-25-11-5-2-6-12-25/h2,5-8,11-18,24,30-33,42H,1,3-4,9-10,19-23,38H2,(H,39,44)(H,40,43)(H,46,47)/t30-,31-,32-,33-/m0/s1 |
PubChem CID | 73345614 |
ChEMBL | CHEMBL2371935 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
4481 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
4483 | Delta-type opioid receptor | P32300 | Oprd1 | Mus musculus (Mouse) | 372 |
4482 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
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