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Name | CHEMBL40667 |
---|---|
Molecular formula | C18H21NO2S |
IUPAC name | (1S,10S)-15-propyl-16-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaene-4,5-diol |
Molecular weight | 315.431 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 3.4 |
Synonyms | BDBM50057841 SCHEMBL7004880 2-Propyl-4,5,5aalpha,6,7,11bbeta-hexahydro-1-thia-5-aza-1H-cyclopenta[c]phenanthrene-9,10-diol (5aS,11bS)-2-Propyl-4,5,5a,6,7,11b-hexahydro-1-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol |
Inchi Key | PAUUVJVIWWLQGB-YOEHRIQHSA-N |
Inchi ID | InChI=1S/C18H21NO2S/c1-2-3-12-6-11-9-19-14-5-4-10-7-15(20)16(21)8-13(10)17(14)18(11)22-12/h6-8,14,17,19-21H,2-5,9H2,1H3/t14-,17-/m0/s1 |
PubChem CID | 10710466 |
ChEMBL | CHEMBL40667 |
IUPHAR | N/A |
BindingDB | 50057841 |
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 |
---|---|---|---|---|---|
255175 | D(1) dopamine receptor | P35406 | Carassius auratus (Goldfish) | 363 | |
255177 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
255176 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
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