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Name | CHEMBL133375 |
---|---|
Molecular formula | C28H40N2O4 |
IUPAC name | 8-[4-(1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-5-yl)oxybutyl]-8-azaspiro[4.5]decane-7,9-dione |
Molecular weight | 468.638 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 4.9 |
Synonyms | BDBM50054155 SCHEMBL8556860 8-[4-[[1'-Propylspiro[2H-1-benzopyran-3(4H),2'-pyrrolidin]-5-yl]oxy]butyl]-8-azaspiro[4.5]decane-7,9-dione 8-{4-[1''-propylspiro[3,4-dihydro-2H-chromene-3,2''-(tetrahydro-1''H-pyrrole)]-5-yloxy]butyl}-8-azaspiro[4.5]decane-7,9-dione |
Inchi Key | CVBMSXGNWVNTDT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H40N2O4/c1-2-14-29-15-8-13-28(29)18-22-23(9-7-10-24(22)34-21-28)33-17-6-5-16-30-25(31)19-27(20-26(30)32)11-3-4-12-27/h7,9-10H,2-6,8,11-21H2,1H3 |
PubChem CID | 10838030 |
ChEMBL | CHEMBL133375 |
IUPHAR | N/A |
BindingDB | 50054155 |
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 |
---|---|---|---|---|---|
51346 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
51345 | 5-hydroxytryptamine receptor 1B | P28564 | Htr1b | Rattus norvegicus (Rat) | 386 |
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