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Name | CHEMBL521687 |
---|---|
Molecular formula | C25H35N3O4S2 |
IUPAC name | [4-[[6-[4-(2-methylsulfanylphenyl)piperazin-1-yl]hexanoylamino]methyl]phenyl] methanesulfonate |
Molecular weight | 505.692 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 3.7 |
Synonyms | BDBM50253284 N-(4-Methanesulfonyloxyphenylmethyl)-4-(2-methylthiophenyl)-1-piperazinehexanamide |
Inchi Key | DINBMKNNYLFNIR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H35N3O4S2/c1-33-24-9-6-5-8-23(24)28-18-16-27(17-19-28)15-7-3-4-10-25(29)26-20-21-11-13-22(14-12-21)32-34(2,30)31/h5-6,8-9,11-14H,3-4,7,10,15-20H2,1-2H3,(H,26,29) |
PubChem CID | 25107581 |
ChEMBL | CHEMBL521687 |
IUPHAR | N/A |
BindingDB | 50253284 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
60895 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
60896 | 5-hydroxytryptamine receptor 7 | P32305 | Htr7 | Rattus norvegicus (Rat) | 448 |
60894 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
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