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Name | CHEMBL41196 |
---|---|
Molecular formula | C21H25NO2S |
IUPAC name | (1S,10S)-15-cyclohexyl-16-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaene-4,5-diol |
Molecular weight | 355.496 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 4.4 |
Synonyms | BDBM50057832 SCHEMBL7009933 2-Cyclohexyl-4,5,5aalpha,6,7,11bbeta-hexahydro-1-thia-5-aza-1H-cyclopenta[c]phenanthrene-9,10-diol (5aS,11bS)-2-Cyclohexyl-4,5,5a,6,7,11b-hexahydro-1-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol |
Inchi Key | RSAXYFBXTHUFBC-JXFKEZNVSA-N |
Inchi ID | InChI=1S/C21H25NO2S/c23-17-8-13-6-7-16-20(15(13)10-18(17)24)21-14(11-22-16)9-19(25-21)12-4-2-1-3-5-12/h8-10,12,16,20,22-24H,1-7,11H2/t16-,20-/m0/s1 |
PubChem CID | 10546132 |
ChEMBL | CHEMBL41196 |
IUPHAR | N/A |
BindingDB | 50057832 |
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 |
---|---|---|---|---|---|
303680 | D(1) dopamine receptor | P35406 | Carassius auratus (Goldfish) | 363 | |
303681 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
303682 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
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