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Name | CHEMBL265195 |
---|---|
Molecular formula | C28H29NO10 |
IUPAC name | methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-9-(4-nitrobenzoyl)oxy-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate |
Molecular weight | 539.537 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 0 |
XlogP | 4.0 |
Synonyms | BDBM50376848 |
Inchi Key | AIYZBEMRHIYEJI-XAGHGKQISA-N |
Inchi ID | InChI=1S/C28H29NO10/c1-27-10-8-18-26(33)39-21(16-9-11-37-14-16)13-28(18,2)23(27)22(30)20(12-19(27)25(32)36-3)38-24(31)15-4-6-17(7-5-15)29(34)35/h4-7,9,11,14,18-21,23H,8,10,12-13H2,1-3H3/t18-,19-,20-,21-,23-,27-,28-/m0/s1 |
PubChem CID | 24854177 |
ChEMBL | CHEMBL265195 |
IUPHAR | N/A |
BindingDB | 50376848 |
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 |
---|---|---|---|---|---|
6666 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
6665 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
6664 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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