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Name | CHEMBL431776 |
---|---|
Molecular formula | C14H21N7S |
IUPAC name | 1-[3-[3-[2-(ethylamino)pyridin-4-yl]-1H-1,2,4-triazol-5-yl]propyl]-3-methylthiourea |
Molecular weight | 319.431 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 4 |
XlogP | 1.7 |
Synonyms | N/A |
Inchi Key | BAVNWCPQFSTYFE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C14H21N7S/c1-3-16-12-9-10(6-8-17-12)13-19-11(20-21-13)5-4-7-18-14(22)15-2/h6,8-9H,3-5,7H2,1-2H3,(H,16,17)(H2,15,18,22)(H,19,20,21) |
PubChem CID | 13676573 |
ChEMBL | CHEMBL431776 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
19223 | Histamine H2 receptor | P47747 | HRH2 | Cavia porcellus (Guinea pig) | 359 |
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