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Name | CHEMBL288846 |
---|---|
Molecular formula | C19H23NO2S |
IUPAC name | (1R,10S)-15-(2-methylpropyl)-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene-4,5-diol |
Molecular weight | 329.458 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 3.9 |
Synonyms | (5aS,11bR)-2-Isobutyl-4,5,5a,6,7,11b-hexahydro-3-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol BDBM50057855 2-Isobutyl-4,5,5aalpha,6,7,11bbeta-hexahydro-3-thia-5-aza-3H-cyclopenta[c]phenanthrene-9,10-diol |
Inchi Key | JUSHFFHTINWVIE-HNAYVOBHSA-N |
Inchi ID | InChI=1S/C19H23NO2S/c1-10(2)5-12-7-14-18(23-12)9-20-15-4-3-11-6-16(21)17(22)8-13(11)19(14)15/h6-8,10,15,19-22H,3-5,9H2,1-2H3/t15-,19+/m0/s1 |
PubChem CID | 10592479 |
ChEMBL | CHEMBL288846 |
IUPHAR | N/A |
BindingDB | 50057855 |
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 |
---|---|---|---|---|---|
160447 | D(1) dopamine receptor | P35406 | Carassius auratus (Goldfish) | 363 | |
160448 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
160449 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
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