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Name | CHEMBL16724 |
---|---|
Molecular formula | C19H18N4O5 |
IUPAC name | 2-[4-[2,6-dioxo-1,3-bis(prop-2-enyl)-7H-purin-8-yl]phenoxy]acetic acid |
Molecular weight | 382.376 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 3.0 |
Synonyms | CZKQVHBXRSZWAF-UHFFFAOYSA-N [4-(1,3-Diallyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetic acid 2-[4-(1,2,3,6-Tetrahydro-2,6-dioxo-1,3-bis(2-propenyl)-7H-purine-8-yl)phenoxy]acetic acid Xanthin, 1,3-diallyl-8-[4-carboxymethoxypheny]- AC1LBTF9 [ Show all ] |
Inchi Key | CZKQVHBXRSZWAF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H18N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h3-8H,1-2,9-11H2,(H,20,21)(H,24,25) |
PubChem CID | 541903 |
ChEMBL | CHEMBL16724 |
IUPHAR | N/A |
BindingDB | 50037435 |
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 |
---|---|---|---|---|---|
54401 | Adenosine receptor A1 | P30542 | ADORA1 | Homo sapiens (Human) | 326 |
54403 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
54402 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
54404 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
54399 | Adenosine receptor A2b | P29275 | ADORA2B | Homo sapiens (Human) | 332 |
54400 | Adenosine receptor A3 | P28647 | Adora3 | Rattus norvegicus (Rat) | 320 |
54405 | Adenosine receptor A3 | P0DMS8 | ADORA3 | Homo sapiens (Human) | 318 |
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