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Name | CHEMBL288536 |
---|---|
Molecular formula | C15H15NO2S |
IUPAC name | (1S,10S)-16-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaene-4,5-diol |
Molecular weight | 273.35 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 2.2 |
Synonyms | (5aS,11bS)-4,5,5a,6,7,11b-Hexahydro-1-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol BDBM50057837 SCHEMBL7005463 4,5,5aalpha,6,7,11bbeta-Hexahydro-1-thia-5-aza-1H-cyclopenta[c]phenanthrene-9,10-diol |
Inchi Key | YWMQJPWBNVVTRC-FZMZJTMJSA-N |
Inchi ID | InChI=1S/C15H15NO2S/c17-12-5-8-1-2-11-14(10(8)6-13(12)18)15-9(7-16-11)3-4-19-15/h3-6,11,14,16-18H,1-2,7H2/t11-,14-/m0/s1 |
PubChem CID | 10540201 |
ChEMBL | CHEMBL288536 |
IUPHAR | N/A |
BindingDB | 50057837 |
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 |
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420960 | 5-hydroxytryptamine receptor 1A | Q64264 | Htr1a | Mus musculus (Mouse) | 421 |
420957 | 5-hydroxytryptamine receptor 2A | Q75Z89 | HTR2A | Bos taurus (Bovine) | 470 |
420962 | 5-hydroxytryptamine receptor 2C | P08909 | Htr2c | Rattus norvegicus (Rat) | 460 |
420956 | Alpha-2A adrenergic receptor | P22909 | Adra2a | Rattus norvegicus (Rat) | 450 |
420959 | D(1) dopamine receptor | P35406 | Carassius auratus (Goldfish) | 363 | |
420961 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
420958 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
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