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Name | CHEMBL44414 |
---|---|
Molecular formula | C17H19NO2S |
IUPAC name | (1S,10S)-15-ethyl-16-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaene-4,5-diol |
Molecular weight | 301.404 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 3.1 |
Synonyms | SCHEMBL7006305 2-Ethyl-4,5,5aalpha,6,7,11bbeta-hexahydro-1-thia-5-aza-1H-cyclopenta[c]phenanthrene-9,10-diol (5aS,11bS)-2-Ethyl-4,5,5a,6,7,11b-hexahydro-1-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol BDBM50057842 |
Inchi Key | LBZXCIYZKGQQCJ-BBRMVZONSA-N |
Inchi ID | InChI=1S/C17H19NO2S/c1-2-11-5-10-8-18-13-4-3-9-6-14(19)15(20)7-12(9)16(13)17(10)21-11/h5-7,13,16,18-20H,2-4,8H2,1H3/t13-,16-/m0/s1 |
PubChem CID | 10851849 |
ChEMBL | CHEMBL44414 |
IUPHAR | N/A |
BindingDB | 50057842 |
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 |
---|---|---|---|---|---|
183754 | D(1) dopamine receptor | P35406 | Carassius auratus (Goldfish) | 363 | |
183755 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
183753 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
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