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Name | CHEMBL277533 |
---|---|
Molecular formula | C32H33ClNO4S- |
IUPAC name | (2R)-3-[(1S)-1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanyl-2-methylpropanoate |
Molecular weight | 563.129 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 7.5 |
Synonyms | Sodium; (R)-3-{(S)-1-[3-(7-chloro-quinolin-2-ylmethoxy)-phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanyl}-2-methyl-propionate BDBM50280706 |
Inchi Key | DHBXJMYACXFGDK-JRPXNJEYSA-M |
Inchi ID | InChI=1S/C32H34ClNO4S/c1-21(31(35)36)20-39-30(16-13-22-7-4-5-10-28(22)32(2,3)37)24-8-6-9-27(17-24)38-19-26-15-12-23-11-14-25(33)18-29(23)34-26/h4-12,14-15,17-18,21,30,37H,13,16,19-20H2,1-3H3,(H,35,36)/p-1/t21-,30-/m0/s1 |
PubChem CID | 91934681 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50280706 |
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 |
---|---|---|---|---|---|
59830 | Cysteinyl leukotriene receptor 1 | Q2NNR5 | CYSLTR1 | Cavia porcellus (Guinea pig) | 340 |
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