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Name | CHEMBL41809 |
---|---|
Molecular formula | C20H25NO2S |
IUPAC name | (1R,10S)-15-(3-methylbutyl)-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene-4,5-diol |
Molecular weight | 343.485 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 4.2 |
Synonyms | (5aS,11bR)-2-(3-Methyl-butyl)-4,5,5a,6,7,11b-hexahydro-3-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol BDBM50057854 SCHEMBL7006396 2-Isopentyl-4,5,5aalpha,6,7,11bbeta-hexahydro-3-thia-5-aza-3H-cyclopenta[c]phenanthrene-9,10-diol |
Inchi Key | BTLAJQAIHGUMKQ-OXJNMPFZSA-N |
Inchi ID | InChI=1S/C20H25NO2S/c1-11(2)3-5-13-8-15-19(24-13)10-21-16-6-4-12-7-17(22)18(23)9-14(12)20(15)16/h7-9,11,16,20-23H,3-6,10H2,1-2H3/t16-,20+/m0/s1 |
PubChem CID | 10831251 |
ChEMBL | CHEMBL41809 |
IUPHAR | N/A |
BindingDB | 50057854 |
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 |
---|---|---|---|---|---|
32426 | D(1) dopamine receptor | P35406 | Carassius auratus (Goldfish) | 363 | |
32428 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
32427 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
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