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Name | MLS002245453 |
---|---|
Molecular formula | C23H26N2O8 |
IUPAC name | [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate |
Molecular weight | 458.467 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 4.0 |
Synonyms | BDBM67395 Z90120278 (2S)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester cid_16248297 [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate [ Show all ] |
Inchi Key | BDEYGGYVEKTISM-NRFANRHFSA-N |
Inchi ID | InChI=1S/C23H26N2O8/c1-13(2)21(24-22(27)16-8-17(31-4)11-18(9-16)32-5)23(28)33-12-20(26)15-7-6-14(3)19(10-15)25(29)30/h6-11,13,21H,12H2,1-5H3,(H,24,27)/t21-/m0/s1 |
PubChem CID | 16248297 |
ChEMBL | CHEMBL1552207 |
IUPHAR | N/A |
BindingDB | 67395 |
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 |
---|---|---|---|---|---|
20872 | Apelin receptor | P35414 | APLNR | Homo sapiens (Human) | 380 |
20871 | Type-1 angiotensin II receptor | P30556 | AGTR1 | Homo sapiens (Human) | 359 |
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