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Name | CHEMBL1684725 |
---|---|
Molecular formula | C20H22N2O5S2 |
IUPAC name | 2-[5-methyl-6-[(4-morpholin-4-ylsulfonylphenyl)methyl]thieno[2,3-b]pyrrol-4-yl]acetic acid |
Molecular weight | 434.525 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 2.2 |
Synonyms | BDBM50338156 2-(5-methyl-6-(4-(morpholinosulfonyl)benzyl)-6H-thieno[2,3-b]pyrrol-4-yl)acetic acid |
Inchi Key | ATPAWLVIHLGKER-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H22N2O5S2/c1-14-18(12-19(23)24)17-6-11-28-20(17)22(14)13-15-2-4-16(5-3-15)29(25,26)21-7-9-27-10-8-21/h2-6,11H,7-10,12-13H2,1H3,(H,23,24) |
PubChem CID | 53326243 |
ChEMBL | CHEMBL1684725 |
IUPHAR | N/A |
BindingDB | 50338156 |
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 |
---|---|---|---|---|---|
14176 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
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