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Name | CHEMBL554154 |
---|---|
Molecular formula | C35H32ClN3O2 |
IUPAC name | 2-[1-[[5-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]methyl]cyclopropyl]acetic acid |
Molecular weight | 562.11 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 4.5 |
Synonyms | BDBM50296085 2-(1-((5-(3-(2-(7-chloroquinolin-2-yl)vinyl)benzyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)methyl)cyclopropyl)acetic acid |
Inchi Key | BRXAPWZPFXXMER-XYOKQWHBSA-N |
Inchi ID | InChI=1S/C35H32ClN3O2/c36-27-11-9-26-10-13-28(37-31(26)19-27)12-8-24-4-3-5-25(18-24)21-39-32-7-2-1-6-29(32)30-22-38(17-14-33(30)39)23-35(15-16-35)20-34(40)41/h1-13,18-19H,14-17,20-23H2,(H,40,41)/b12-8+ |
PubChem CID | 45273490 |
ChEMBL | CHEMBL554154 |
IUPHAR | N/A |
BindingDB | 50296085 |
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 |
---|---|---|---|---|---|
31437 | Cysteinyl leukotriene receptor 1 | Q2NNR5 | CYSLTR1 | Cavia porcellus (Guinea pig) | 340 |
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