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Name | CHEMBL139081 |
---|---|
Molecular formula | C20H20BrNS |
IUPAC name | 5-(3-bromophenyl)-3-ethyl-1,2,4,5-tetrahydro-[1]benzothiolo[2,3-d]azepine |
Molecular weight | 386.351 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 0 |
XlogP | 5.8 |
Synonyms | BDBM50067816 SCHEMBL8504900 9-(3-Bromo-phenyl)-7-ethyl-6,7,8,9-tetrahydro-5H-10-thia-7-aza-benzo[a]azulene |
Inchi Key | AZJLNNJMUCJPAO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H20BrNS/c1-2-22-11-10-17-16-8-3-4-9-19(16)23-20(17)18(13-22)14-6-5-7-15(21)12-14/h3-9,12,18H,2,10-11,13H2,1H3 |
PubChem CID | 11794523 |
ChEMBL | CHEMBL139081 |
IUPHAR | N/A |
BindingDB | 50067816 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
18220 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
18221 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
18218 | D(3) dopamine receptor | P19020 | Drd3 | Rattus norvegicus (Rat) | 446 |
18219 | Kappa-type opioid receptor | P34975 | Oprk1 | Rattus norvegicus (Rat) | 380 |
18217 | Mu-type opioid receptor | P33535 | Oprm1 | Rattus norvegicus (Rat) | 398 |
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