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Name | NECA |
---|---|
Molecular formula | C12H16N6O4 |
IUPAC name | (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide |
Molecular weight | 308.298 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | -0.7 |
Synonyms | 35920-39-9 5'-Ethylcarboxamido Adenosine 84272-21-9 b-D-Ribofuranuronamide,1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl- D0W1XA [ Show all ] |
Inchi Key | JADDQZYHOWSFJD-FLNNQWSLSA-N |
Inchi ID | InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 |
PubChem CID | 448222 |
ChEMBL | CHEMBL464859 |
IUPHAR | 377, 425 |
BindingDB | 21220 |
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 |
---|---|---|---|---|---|
145778 | 2-oxoglutarate receptor 1 | Q6Y1R5 | Oxgr1 | Rattus norvegicus (Rat) | 337 |
539717 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
539711 | 5-hydroxytryptamine receptor 1B | P28222 | HTR1B | Homo sapiens (Human) | 390 |
539718 | 5-hydroxytryptamine receptor 1D | P28221 | HTR1D | Homo sapiens (Human) | 377 |
539710 | 5-hydroxytryptamine receptor 1E | P28566 | HTR1E | Homo sapiens (Human) | 365 |
539709 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
539720 | 5-hydroxytryptamine receptor 2B | P41595 | HTR2B | Homo sapiens (Human) | 481 |
539715 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
539719 | 5-hydroxytryptamine receptor 4 | Q13639 | HTR4 | Homo sapiens (Human) | 388 |
539716 | 5-hydroxytryptamine receptor 5A | P47898 | HTR5A | Homo sapiens (Human) | 357 |
539712 | 5-hydroxytryptamine receptor 6 | P50406 | HTR6 | Homo sapiens (Human) | 440 |
539714 | 5-hydroxytryptamine receptor 7 | P34969 | HTR7 | Homo sapiens (Human) | 479 |
145763 | Adenosine receptor A1 | P30542 | ADORA1 | Homo sapiens (Human) | 326 |
145765 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
145766 | Adenosine receptor A1 | P34970 | ADORA1 | Oryctolagus cuniculus (Rabbit) | 328 |
145770 | Adenosine receptor A1 | P47745 | ADORA1 | Cavia porcellus (Guinea pig) | 326 |
145773 | Adenosine receptor A1 | P28190 | ADORA1 | Bos taurus (Bovine) | 326 |
145781 | Adenosine receptor A1 | P49892 | ADORA1 | Gallus gallus (Chicken) | 324 |
145764 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
145775 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
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