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Name | A-77636 |
---|---|
Molecular formula | C20H27NO3 |
IUPAC name | (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol |
Molecular weight | 329.44 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 3.0 |
Synonyms | (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol 1H-2-Benzopyran-5,6-diol, 1-(aminomethyl)-3,4-dihydro-3-tricyclo(3.3.1.13,7)dec-1-yl-, (1R-cis) AC1O7FZG MLS001056780 SMR000326988 [ Show all ] |
Inchi Key | QLJOSZATCBCBDR-DFKUFRTHSA-N |
Inchi ID | InChI=1S/C20H27NO3/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20/h1-2,11-13,17-18,22-23H,3-10,21H2/t11?,12?,13?,17-,18-,20?/m0/s1 |
PubChem CID | 6603703 |
ChEMBL | CHEMBL291143 |
IUPHAR | 9637 |
BindingDB | 50033116 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
281100 | 5-hydroxytryptamine receptor 2A | P35363 | Htr2a | Mus musculus (Mouse) | 471 |
281097 | D(1) dopamine receptor | P35406 | Carassius auratus (Goldfish) | 363 | |
281096 | D(1A) dopamine receptor | P21728 | DRD1 | Homo sapiens (Human) | 446 |
281099 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
281098 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
281101 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
281102 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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