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Name | CHEMBL555048 |
---|---|
Molecular formula | C38H31F2N3O3 |
IUPAC name | 2-[2-[5-[[3-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]ethoxy]benzoic acid |
Molecular weight | 615.681 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 5.2 |
Synonyms | BDBM50296089 2-(2-(5-(3-(2-(6,7-difluoroquinolin-2-yl)vinyl)benzyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)ethoxy)benzoic acid |
Inchi Key | DURQOFQIVXVCQC-WYMLVPIESA-N |
Inchi ID | InChI=1S/C38H31F2N3O3/c39-32-21-27-13-15-28(41-34(27)22-33(32)40)14-12-25-6-5-7-26(20-25)23-43-35-10-3-1-8-29(35)31-24-42(17-16-36(31)43)18-19-46-37-11-4-2-9-30(37)38(44)45/h1-15,20-22H,16-19,23-24H2,(H,44,45)/b14-12+ |
PubChem CID | 45268321 |
ChEMBL | CHEMBL555048 |
IUPHAR | N/A |
BindingDB | 50296089 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
69357 | Cysteinyl leukotriene receptor 1 | Q2NNR5 | CYSLTR1 | Cavia porcellus (Guinea pig) | 340 |
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