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Name | CHEMBL520480 |
---|---|
Molecular formula | C20H18Cl2N2O4S2 |
IUPAC name | 2-[5-(3,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid |
Molecular weight | 485.394 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.8 |
Synonyms | BDBM50277988 SCHEMBL991162 (+/-)-2-(5-(3,4-dichlorophenylthio)-4-(methylsulfonyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid |
Inchi Key | ANSZFKJHEBXZMZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)15-6-7-23-20-17(15)19(29-12-4-5-13(21)14(22)10-12)18-11(9-16(25)26)3-2-8-24(18)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,26) |
PubChem CID | 10254794 |
ChEMBL | CHEMBL520480 |
IUPHAR | N/A |
BindingDB | 50277988 |
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 |
---|---|---|---|---|---|
9849 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
9850 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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