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Name | CHEMBL311160 |
---|---|
Molecular formula | C36H35F2N5O5S |
IUPAC name | 4-ethyl-N-[2-[4-[[2-ethyl-4-oxo-6-(propan-2-ylcarbamoylamino)quinazolin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-fluorobenzamide |
Molecular weight | 687.763 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 5.7 |
Synonyms | BDBM50283312 4''-[2-Ethyl-6-(3-isopropyl-ureido)-4-oxo-4H-quinazolin-3-ylmethyl]-3''-fluoro-biphenyl-2-sulfonic acid 4-ethyl-2-fluoro-benzoylamide |
Inchi Key | FRKWBPZUTQTJCZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C36H35F2N5O5S/c1-5-22-11-15-27(30(38)17-22)34(44)42-49(47,48)32-10-8-7-9-26(32)23-12-13-24(29(37)18-23)20-43-33(6-2)41-31-16-14-25(19-28(31)35(43)45)40-36(46)39-21(3)4/h7-19,21H,5-6,20H2,1-4H3,(H,42,44)(H2,39,40,46) |
PubChem CID | 44315351 |
ChEMBL | CHEMBL311160 |
IUPHAR | N/A |
BindingDB | 50283312 |
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 |
---|---|---|---|---|---|
85493 | Type-1 angiotensin II receptor | P34976 | AGTR1 | Oryctolagus cuniculus (Rabbit) | 359 |
85496 | Type-1 angiotensin II receptor | P30556 | AGTR1 | Homo sapiens (Human) | 359 |
85494 | Type-2 angiotensin II receptor | P50052 | AGTR2 | Homo sapiens (Human) | 363 |
85495 | Type-2 angiotensin II receptor | P35351 | Agtr2 | Rattus norvegicus (Rat) | 363 |
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