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Name | IB-MECA |
---|---|
Molecular formula | C18H19IN6O4 |
IUPAC name | (2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methyloxolane-2-carboxamide |
Molecular weight | 510.292 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | 0.9 |
Synonyms | NCGC00024978-02 RPR-113090 (2S,3S,4R,5R)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N-methyl-tetrahydrofuran-2-carboxamide ZINC3811810 1-Deoxy-1-[6-[((3-Iodophenyl)methyl)amino]-9H-purin-9-yl]-N-methyl-|A-D-ribofuranuronamide [ Show all ] |
Inchi Key | HUJXGQILHAUCCV-MOROJQBDSA-N |
Inchi ID | InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1 |
PubChem CID | 123683 |
ChEMBL | CHEMBL119709 |
IUPHAR | 422 |
BindingDB | 50118812 |
DrugBank | DB05511 |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
539081 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
539077 | 5-hydroxytryptamine receptor 1B | P28222 | HTR1B | Homo sapiens (Human) | 390 |
539075 | 5-hydroxytryptamine receptor 1D | P28221 | HTR1D | Homo sapiens (Human) | 377 |
539073 | 5-hydroxytryptamine receptor 1E | P28566 | HTR1E | Homo sapiens (Human) | 365 |
539074 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
446575 | 5-hydroxytryptamine receptor 2B | P41595 | HTR2B | Homo sapiens (Human) | 481 |
446574 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
539078 | 5-hydroxytryptamine receptor 4 | Q13639 | HTR4 | Homo sapiens (Human) | 388 |
539080 | 5-hydroxytryptamine receptor 5A | P47898 | HTR5A | Homo sapiens (Human) | 357 |
539079 | 5-hydroxytryptamine receptor 6 | P50406 | HTR6 | Homo sapiens (Human) | 440 |
539076 | 5-hydroxytryptamine receptor 7 | P34969 | HTR7 | Homo sapiens (Human) | 479 |
124371 | Adenosine receptor A1 | P30542 | ADORA1 | Homo sapiens (Human) | 326 |
124374 | Adenosine receptor A1 | P28190 | ADORA1 | Bos taurus (Bovine) | 326 |
124376 | Adenosine receptor A1 | Q60612 | Adora1 | Mus musculus (Mouse) | 326 |
124378 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
124369 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
124372 | Adenosine receptor A2a | Q60613 | Adora2a | Mus musculus (Mouse) | 410 |
124377 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
124370 | Adenosine receptor A2b | P29275 | ADORA2B | Homo sapiens (Human) | 332 |
124373 | Adenosine receptor A2b | Q60614 | Adora2b | Mus musculus (Mouse) | 332 |
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