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| Name | CHEMBL516641 |
|---|---|
| Molecular formula | C35H52O4 |
| IUPAC name | (1R,5S,6R,7S)-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)bicyclo[3.3.1]nonane-2,4,9-trione |
| Molecular weight | 536.797 |
| Hydrogen bond acceptor | 4 |
| Hydrogen bond donor | 0 |
| XlogP | 10.0 |
| Synonyms | BDBM50242259 |
| Inchi Key | GQRREYKSPJMLAW-CWRBZUMDSA-N |
| Inchi ID | InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-28H,12,16-17,19-21H2,1-11H3/t27-,28?,33+,34+,35+/m0/s1 |
| PubChem CID | 91935559 |
| ChEMBL | N/A |
| IUPHAR | N/A |
| BindingDB | 50242259 |
| DrugBank | N/A |
Structure |  |
| Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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| GLASS ID | Name | UniProt | Gene | Species | Length |
|---|---|---|---|---|---|
| 102912 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
| 102914 | 5-hydroxytryptamine receptor 1D | P28221 | HTR1D | Homo sapiens (Human) | 377 |
| 102909 | 5-hydroxytryptamine receptor 2C | P08909 | Htr2c | Rattus norvegicus (Rat) | 460 |
| 460139 | 5-hydroxytryptamine receptor 5A | P47898 | HTR5A | Homo sapiens (Human) | 357 |
| 102905 | 5-hydroxytryptamine receptor 6 | P50406 | HTR6 | Homo sapiens (Human) | 440 |
| 555860 | 5-hydroxytryptamine receptor 7 | P34969 | HTR7 | Homo sapiens (Human) | 479 |
| 555863 | Alpha-1A adrenergic receptor | P35348 | ADRA1A | Homo sapiens (Human) | 466 |
| 102917 | Alpha-1B adrenergic receptor | P35368 | ADRA1B | Homo sapiens (Human) | 520 |
| 102910 | Alpha-2A adrenergic receptor | P08913 | ADRA2A | Homo sapiens (Human) | 450 |
| 460135 | Alpha-2B adrenergic receptor | P18089 | ADRA2B | Homo sapiens (Human) | 450 |
| 102921 | Alpha-2C adrenergic receptor | P18825 | ADRA2C | Homo sapiens (Human) | 462 |
| 102907 | Beta-1 adrenergic receptor | P18090 | Adrb1 | Rattus norvegicus (Rat) | 466 |
| 460136 | Beta-2 adrenergic receptor | P10608 | Adrb2 | Rattus norvegicus (Rat) | 418 |
| 102916 | D(1A) dopamine receptor | P21728 | DRD1 | Homo sapiens (Human) | 446 |
| 102920 | D(1B) dopamine receptor | P21918 | DRD5 | Homo sapiens (Human) | 477 |
| 555862 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
| 555864 | D(3) dopamine receptor | P19020 | Drd3 | Rattus norvegicus (Rat) | 446 |
| 102911 | D(4) dopamine receptor | P30729 | Drd4 | Rattus norvegicus (Rat) | 387 |
| 460138 | Delta-type opioid receptor | P79291 | OPRD1 | Sus scrofa (Pig) | 228 |
| 102922 | Histamine H1 receptor | P31390 | Hrh1 | Rattus norvegicus (Rat) | 486 |
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