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Name | KUC105575N |
---|---|
Molecular formula | C21H18N4S |
IUPAC name | 2-(4-benzyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)pyridine |
Molecular weight | 358.463 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 4.0 |
Synonyms | 2-[4-(phenylmethyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine 2-[4-benzyl-5-(benzylthio)-1,2,4-triazol-3-yl]pyridine KSC-12-171-A3 ABVXSGQSIQXNHD-UHFFFAOYSA-N 2-[4-(phenylmethyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]pyridine [ Show all ] |
Inchi Key | ABVXSGQSIQXNHD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H18N4S/c1-3-9-17(10-4-1)15-25-20(19-13-7-8-14-22-19)23-24-21(25)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2 |
PubChem CID | 11462495 |
ChEMBL | CHEMBL590844 |
IUPHAR | N/A |
BindingDB | 75413 |
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 |
---|---|---|---|---|---|
1226 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
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