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Name | CHEMBL446350 |
---|---|
Molecular formula | C18H21NO2S |
IUPAC name | (1R,10S)-15-propan-2-yl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene-4,5-diol |
Molecular weight | 315.431 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 3.4 |
Synonyms | 2-Isopropyl-4,5,5aalpha,6,7,11bbeta-hexahydro-3-thia-5-aza-3H-cyclopenta[c]phenanthrene-9,10-diol (5aS,11bR)-2-Isopropyl-4,5,5a,6,7,11b-hexahydro-3-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol BDBM50057857 SCHEMBL7008273 |
Inchi Key | XCVRPMHYLBIKRT-SCLBCKFNSA-N |
Inchi ID | InChI=1S/C18H21NO2S/c1-9(2)16-7-12-17(22-16)8-19-13-4-3-10-5-14(20)15(21)6-11(10)18(12)13/h5-7,9,13,18-21H,3-4,8H2,1-2H3/t13-,18+/m0/s1 |
PubChem CID | 10519435 |
ChEMBL | CHEMBL446350 |
IUPHAR | N/A |
BindingDB | 50057857 |
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 |
---|---|---|---|---|---|
388685 | D(1) dopamine receptor | P35406 | Carassius auratus (Goldfish) | 363 | |
388684 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
388686 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
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