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Name | CHEMBL103388 |
---|---|
Molecular formula | C24H31N5O3S |
IUPAC name | N-[4-[[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]methyl]phenyl]acetamide |
Molecular weight | 469.604 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 1.8 |
Synonyms | BDBM50422029 SCHEMBL8807080 2-[[3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl]methyl]-5-[4-(acetylamino)benzyl]-1,2,5-thiadiazolidine 1,1-dioxide |
Inchi Key | HLROMXIAWNSEJU-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H31N5O3S/c1-18(30)26-22-7-4-19(5-8-22)16-28-12-13-29(33(28,31)32)17-20-6-9-24-23(14-20)21(15-25-24)10-11-27(2)3/h4-9,14-15,25H,10-13,16-17H2,1-3H3,(H,26,30) |
PubChem CID | 10412397 |
ChEMBL | CHEMBL103388 |
IUPHAR | N/A |
BindingDB | 50422029 |
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 |
---|---|---|---|---|---|
118169 | 5-hydroxytryptamine receptor 1D | P79400 | HTR1D | Sus scrofa (Pig) | 291 |
118168 | 5-hydroxytryptamine receptor 2A | P14842 | Htr2a | Rattus norvegicus (Rat) | 471 |
118170 | 5-hydroxytryptamine receptor 5A | P47898 | HTR5A | Homo sapiens (Human) | 357 |
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