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Name | CHEMBL151064 |
---|---|
Molecular formula | C25H24ClNO6 |
IUPAC name | 2-[(6-chloro-1,3-benzodioxol-5-yl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(4-hydroxyphenyl)propanoic acid |
Molecular weight | 469.918 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 2.6 |
Synonyms | BDBM50097185 2-[(6-Chloro-benzo[1,3]dioxol-5-ylmethyl)-(4-methoxy-benzyl)-amino]-3-(4-hydroxy-phenyl)-propionic acid |
Inchi Key | GRPWIFADFKGVTR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H24ClNO6/c1-31-20-8-4-17(5-9-20)13-27(14-18-11-23-24(12-21(18)26)33-15-32-23)22(25(29)30)10-16-2-6-19(28)7-3-16/h2-9,11-12,22,28H,10,13-15H2,1H3,(H,29,30) |
PubChem CID | 44367767 |
ChEMBL | CHEMBL151064 |
IUPHAR | N/A |
BindingDB | 50097185 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
103644 | Endothelin receptor type B | P35463 | EDNRB | Sus scrofa (Pig) | 443 |
103645 | Endothelin-1 receptor | Q29010 | EDNRA | Sus scrofa (Pig) | 427 |
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