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Name | CHEMBL306362 |
---|---|
Molecular formula | C36H42FN5O6S |
IUPAC name | 2-cyclopropylethyl N-[2-[4-[[2-butyl-6-[[methyl(propan-2-yl)carbamoyl]amino]-4-oxoquinazolin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamate |
Molecular weight | 691.819 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 6.1 |
Synonyms | BDBM50283319 2-Butyl-3-(3-fluoro-2''-(2-cyclopropylethyloxycarbonylaminosulphonyl)-biphenyl-4-ylmethyl)-6-(isopropyl-methyl-aminocarbonylamino)-3H-quinazolin-4-one |
Inchi Key | COFPUUSXDAODDA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C36H42FN5O6S/c1-5-6-11-33-39-31-17-16-27(38-35(44)41(4)23(2)3)21-29(31)34(43)42(33)22-26-15-14-25(20-30(26)37)28-9-7-8-10-32(28)49(46,47)40-36(45)48-19-18-24-12-13-24/h7-10,14-17,20-21,23-24H,5-6,11-13,18-19,22H2,1-4H3,(H,38,44)(H,40,45) |
PubChem CID | 44314822 |
ChEMBL | CHEMBL306362 |
IUPHAR | N/A |
BindingDB | 50283319 |
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 |
---|---|---|---|---|---|
46616 | Type-1 angiotensin II receptor | P30556 | AGTR1 | Homo sapiens (Human) | 359 |
46618 | Type-1 angiotensin II receptor | P34976 | AGTR1 | Oryctolagus cuniculus (Rabbit) | 359 |
46617 | Type-2 angiotensin II receptor | P35351 | Agtr2 | Rattus norvegicus (Rat) | 363 |
46619 | Type-2 angiotensin II receptor | P50052 | AGTR2 | Homo sapiens (Human) | 363 |
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