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Name | CHEMBL2370599 |
---|---|
Molecular formula | C20H32N4O5 |
IUPAC name | (2S)-2-amino-N-[(2R)-3-hydroxy-1-[[2-(4-methylpentan-2-ylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide |
Molecular weight | 408.499 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 6 |
XlogP | 0.4 |
Synonyms | BDBM50018722 2-Amino-N-(1-{[(1,3-dimethyl-butylcarbamoyl)-methyl]-carbamoyl}-2-hydroxy-ethyl)-3-(4-hydroxy-phenyl)-propionamide |
Inchi Key | ASQQCHZPNVTTRH-ZMKYACIDSA-N |
Inchi ID | InChI=1S/C20H32N4O5/c1-12(2)8-13(3)23-18(27)10-22-20(29)17(11-25)24-19(28)16(21)9-14-4-6-15(26)7-5-14/h4-7,12-13,16-17,25-26H,8-11,21H2,1-3H3,(H,22,29)(H,23,27)(H,24,28)/t13?,16-,17+/m0/s1 |
PubChem CID | 14019899 |
ChEMBL | CHEMBL2370599 |
IUPHAR | N/A |
BindingDB | 50018722 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
13437 | Delta-type opioid receptor | P33533 | Oprd1 | Rattus norvegicus (Rat) | 372 |
13435 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
13436 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
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