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Name | CHEMBL2115377 |
---|---|
Molecular formula | C17H19NO2S |
IUPAC name | (1R,10S)-15-ethyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene-4,5-diol |
Molecular weight | 301.404 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 3.1 |
Synonyms | CHEMBL296993 BDBM50408143 SCHEMBL7006445 2-Ethyl-4,5,5aalpha,6,7,11bbeta-hexahydro-3-thia-5-aza-3H-cyclopenta[c]phenanthrene-9,10-diol |
Inchi Key | OXIMNPYYZPJDBV-SUMWQHHRSA-N |
Inchi ID | InChI=1S/C17H19NO2S/c1-2-10-6-12-16(21-10)8-18-13-4-3-9-5-14(19)15(20)7-11(9)17(12)13/h5-7,13,17-20H,2-4,8H2,1H3/t13-,17+/m0/s1 |
PubChem CID | 10709445 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50408143 |
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 |
---|---|---|---|---|---|
252544 | D(1) dopamine receptor | P35406 | Carassius auratus (Goldfish) | 363 | |
252545 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
252543 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
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