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Name | MLS000392397 |
---|---|
Molecular formula | C20H20BrN3O3S |
IUPAC name | N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-3-bromobenzamide |
Molecular weight | 462.362 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | MLS002636919 ZINC25228033 AKOS034463980 CHEMBL1506728 N-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioyl]-3-bromobenzamide [ Show all ] |
Inchi Key | HCQWEAKUEYTKEF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H20BrN3O3S/c21-16-3-1-2-15(11-16)19(25)22-20(28)24-8-6-23(7-9-24)12-14-4-5-17-18(10-14)27-13-26-17/h1-5,10-11H,6-9,12-13H2,(H,22,25,28) |
PubChem CID | 2394933 |
ChEMBL | CHEMBL1506728 |
IUPHAR | N/A |
BindingDB | 54271 |
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 |
---|---|---|---|---|---|
111536 | C-C chemokine receptor type 6 | P51684 | CCR6 | Homo sapiens (Human) | 374 |
111535 | Glucagon-like peptide 1 receptor | P43220 | GLP1R | Homo sapiens (Human) | 463 |
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