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Name | 2-Cl-IB-Meca |
---|---|
Molecular formula | C18H18ClIN6O4 |
IUPAC name | (2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide |
Molecular weight | 544.734 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | 1.9 |
Synonyms | (2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide 2-Chloro-N(6)-(3-iodobenzyl)adenosine-5'-N-methyluronamide AB0047892 BDBM21221 DB12885 [ Show all ] |
Inchi Key | IPSYPUKKXMNCNQ-PFHKOEEOSA-N |
Inchi ID | InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 |
PubChem CID | 3035850 |
ChEMBL | CHEMBL431733 |
IUPHAR | 457 |
BindingDB | 21221 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
539518 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
539517 | 5-hydroxytryptamine receptor 1B | P28222 | HTR1B | Homo sapiens (Human) | 390 |
539523 | 5-hydroxytryptamine receptor 1D | P28221 | HTR1D | Homo sapiens (Human) | 377 |
539514 | 5-hydroxytryptamine receptor 1E | P28566 | HTR1E | Homo sapiens (Human) | 365 |
539522 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
539520 | 5-hydroxytryptamine receptor 2B | P41595 | HTR2B | Homo sapiens (Human) | 481 |
539516 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
539513 | 5-hydroxytryptamine receptor 4 | Q13639 | HTR4 | Homo sapiens (Human) | 388 |
539515 | 5-hydroxytryptamine receptor 5A | P47898 | HTR5A | Homo sapiens (Human) | 357 |
539519 | 5-hydroxytryptamine receptor 6 | P50406 | HTR6 | Homo sapiens (Human) | 440 |
539521 | 5-hydroxytryptamine receptor 7 | P34969 | HTR7 | Homo sapiens (Human) | 479 |
138941 | Adenosine receptor A1 | P30542 | ADORA1 | Homo sapiens (Human) | 326 |
138942 | Adenosine receptor A1 | P25099 | Adora1 | Rattus norvegicus (Rat) | 326 |
138944 | Adenosine receptor A1 | P28190 | ADORA1 | Bos taurus (Bovine) | 326 |
138948 | Adenosine receptor A1 | P49892 | ADORA1 | Gallus gallus (Chicken) | 324 |
138949 | Adenosine receptor A1 | Q60612 | Adora1 | Mus musculus (Mouse) | 326 |
138938 | Adenosine receptor A2a | P30543 | Adora2a | Rattus norvegicus (Rat) | 410 |
138940 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
138943 | Adenosine receptor A2a | Q60613 | Adora2a | Mus musculus (Mouse) | 410 |
138945 | Adenosine receptor A2b | Q60614 | Adora2b | Mus musculus (Mouse) | 332 |
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