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Name | CHEMBL70924 |
---|---|
Molecular formula | C30H34N6O6S |
IUPAC name | 1-[2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-methylpyrimidin-4-yl]oxyethyl]-3-pyridin-2-ylurea |
Molecular weight | 606.698 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 3 |
XlogP | 4.9 |
Synonyms | BDBM50290058 SCHEMBL8322960 4-tert-Butyl-N-{5-(2-methoxy-phenoxy)-2-methyl-6-[2-(3-pyridin-2-yl-ureido)-ethoxy]-pyrimidin-4-yl}-benzenesulfonamide |
Inchi Key | AHRRXSCSEHTVQL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H34N6O6S/c1-20-33-27(36-43(38,39)22-15-13-21(14-16-22)30(2,3)4)26(42-24-11-7-6-10-23(24)40-5)28(34-20)41-19-18-32-29(37)35-25-12-8-9-17-31-25/h6-17H,18-19H2,1-5H3,(H,33,34,36)(H2,31,32,35,37) |
PubChem CID | 19432672 |
ChEMBL | CHEMBL70924 |
IUPHAR | N/A |
BindingDB | 50290058 |
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 |
---|---|---|---|---|---|
5831 | Endothelin receptor type B | P24530 | EDNRB | Homo sapiens (Human) | 442 |
5830 | Endothelin-1 receptor | P25101 | EDNRA | Homo sapiens (Human) | 427 |
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