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Name | CHEMBL1632048 |
---|---|
Molecular formula | C13H16N2OS |
IUPAC name | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide |
Molecular weight | 248.344 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 3.7 |
Synonyms | MolPort-001-501-327 ZINC141554 Oprea1_543734 AKOS001659463 ST50183897 [ Show all ] |
Inchi Key | WEQBJUFKTHOGLQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C13H16N2OS/c1-8(2)12(16)15-13-10(7-14)9-5-3-4-6-11(9)17-13/h8H,3-6H2,1-2H3,(H,15,16) |
PubChem CID | 729610 |
ChEMBL | CHEMBL1632048 |
IUPHAR | N/A |
BindingDB | 50365989 |
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 |
---|---|---|---|---|---|
371501 | Vasoactive intestinal polypeptide receptor 1 | P30083 | Vipr1 | Rattus norvegicus (Rat) | 459 |
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