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Name | CHEMBL174094 |
---|---|
Molecular formula | C29H28N4O5S |
IUPAC name | 4-tert-butyl-N-[5-(2-methoxyphenoxy)-6-prop-2-ynoxy-2-pyridin-4-ylpyrimidin-4-yl]benzenesulfonamide |
Molecular weight | 544.626 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 5.2 |
Synonyms | 4-tert-Butyl-N-[5-(2-methoxy-phenoxy)-6-prop-2-ynyloxy-2-pyridin-4-yl-pyrimidin-4-yl]-benzenesulfonamide BDBM50124479 |
Inchi Key | BUZZXSDSIRQVKH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H28N4O5S/c1-6-19-37-28-25(38-24-10-8-7-9-23(24)36-5)27(31-26(32-28)20-15-17-30-18-16-20)33-39(34,35)22-13-11-21(12-14-22)29(2,3)4/h1,7-18H,19H2,2-5H3,(H,31,32,33) |
PubChem CID | 44384852 |
ChEMBL | CHEMBL174094 |
IUPHAR | N/A |
BindingDB | 50124479 |
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 |
---|---|---|---|---|---|
33531 | Endothelin receptor type B | P24530 | EDNRB | Homo sapiens (Human) | 442 |
33530 | Endothelin-1 receptor | P25101 | EDNRA | Homo sapiens (Human) | 427 |
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