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Name | CHEMBL1599381 |
---|---|
Molecular formula | C22H21N3O6S2 |
IUPAC name | [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-pyrrolidin-1-ylsulfonylbenzoate |
Molecular weight | 487.545 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 0 |
XlogP | 2.4 |
Synonyms | MLS000724757 AKOS024654902 ZINC8860149 877637-69-9 MCULE-2931109202 [ Show all ] |
Inchi Key | DIOKBNUIXMQYGK-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H21N3O6S2/c1-15-8-9-23-22(24-15)32-14-17-12-19(26)20(13-30-17)31-21(27)16-4-6-18(7-5-16)33(28,29)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11,14H2,1H3 |
PubChem CID | 12005825 |
ChEMBL | CHEMBL1599381 |
IUPHAR | N/A |
BindingDB | 50393928 |
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 |
---|---|---|---|---|---|
60927 | Apelin receptor | P35414 | APLNR | Homo sapiens (Human) | 380 |
60926 | Type-1 angiotensin II receptor | P30556 | AGTR1 | Homo sapiens (Human) | 359 |
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