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Name | CHEMBL610549 |
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Molecular formula | C35H47N5O12S |
IUPAC name | 5-[[3-[1-[[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-methoxy-1,4-dioxobutan-2-yl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid |
Molecular weight | 761.844 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 8 |
XlogP | -7.1 |
Synonyms | 4-[[17-(Cyclopropylmethyl)-4,5alpha-epoxy-3,14-dihydroxymorphinan-6beta-yl]amino]-3-[[2-[(1,5-dioxo-4-amino-5-hydroxypentyl)amino]-3-[(2-oxo-2-hydroxyethyl)amino]-3-oxopropyl]thio]-4-oxobutanoic acid methyl ester |
Inchi Key | CMXFDERRQSFBJM-DUFLPTJOSA-N |
Inchi ID | InChI=1S/C35H47N5O12S/c1-51-27(45)13-23(53-16-21(31(46)37-14-26(43)44)38-25(42)7-5-19(36)33(48)49)32(47)39-20-8-9-35(50)24-12-18-4-6-22(41)29-28(18)34(35,30(20)52-29)10-11-40(24)15-17-2-3-17/h4,6,17,19-21,23-24,30,41,50H,2-3,5,7-16,36H2,1H3,(H,37,46)(H,38,42)(H,39,47)(H,43,44)(H,48,49)/t19?,20-,21?,23?,24-,30+,34+,35-/m1/s1 |
PubChem CID | 46877668 |
ChEMBL | CHEMBL610549 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
45802 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
45803 | Mu-type opioid receptor | P42866 | Oprm1 | Mus musculus (Mouse) | 398 |
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