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Name | CHEMBL207201 |
---|---|
Molecular formula | C24H20BrClN2O4S |
IUPAC name | 2-[5-bromo-4-[(7-chloroquinolin-2-yl)methyl]-7-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid |
Molecular weight | 547.848 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.4 |
Synonyms | BDBM50184222 SCHEMBL18269275 2-(5-bromo-4-((7-chloroquinolin-2-yl)methyl)-7-(methylsulfonyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid |
Inchi Key | BLCSPVPYFJDQID-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H20BrClN2O4S/c1-33(31,32)17-10-19-18-7-4-14(8-22(29)30)23(18)28(24(19)20(25)11-17)12-16-6-3-13-2-5-15(26)9-21(13)27-16/h2-3,5-6,9-11,14H,4,7-8,12H2,1H3,(H,29,30) |
PubChem CID | 44411555 |
ChEMBL | CHEMBL207201 |
IUPHAR | N/A |
BindingDB | 50184222 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
26408 | Prostaglandin D2 receptor | Q13258 | PTGDR | Homo sapiens (Human) | 359 |
26409 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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