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Name | CHEMBL15120 |
---|---|
Molecular formula | C31H30ClN2O4S- |
IUPAC name | 2-[[3-(2-carbamoylphenyl)-1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]propyl]sulfanylmethyl]butanoate |
Molecular weight | 562.101 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 7.1 |
Synonyms | Sodium; 2-{3-(2-carbamoyl-phenyl)-1-[3-(7-chloro-quinolin-2-ylmethoxy)-phenyl]-propylsulfanylmethyl}-butyrate BDBM50280686 |
Inchi Key | APPLGAQTEJYNIL-UHFFFAOYSA-M |
Inchi ID | InChI=1S/C31H31ClN2O4S/c1-2-20(31(36)37)19-39-29(15-12-21-6-3-4-9-27(21)30(33)35)23-7-5-8-26(16-23)38-18-25-14-11-22-10-13-24(32)17-28(22)34-25/h3-11,13-14,16-17,20,29H,2,12,15,18-19H2,1H3,(H2,33,35)(H,36,37)/p-1 |
PubChem CID | 91934666 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50280686 |
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 |
---|---|---|---|---|---|
11214 | Cysteinyl leukotriene receptor 1 | Q2NNR5 | CYSLTR1 | Cavia porcellus (Guinea pig) | 340 |
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