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Name | 331751-89-4 |
---|---|
Molecular formula | C13H11ClN4O2S |
IUPAC name | 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione |
Molecular weight | 322.767 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 2 |
XlogP | 1.4 |
Synonyms | 7-[(4-chlorophenyl)methyl]-3-methyl-8-sulfanyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione MolPort-001-938-588 STK046762 AC1LETVQ F0373-0818 [ Show all ] |
Inchi Key | AFCLEMNPGSUBDT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C13H11ClN4O2S/c1-17-10-9(11(19)16-12(17)20)18(13(21)15-10)6-7-2-4-8(14)5-3-7/h2-5H,6H2,1H3,(H,15,21)(H,16,19,20) |
PubChem CID | 741849 |
ChEMBL | CHEMBL454028 |
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 |
---|---|---|---|---|---|
463376 | Parathyroid hormone/parathyroid hormone-related peptide receptor | Q03431 | PTH1R | Homo sapiens (Human) | 593 |
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