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Name | CHEMBL2064653 |
---|---|
Molecular formula | C28H25ClN6O3 |
IUPAC name | (1S,2R,3S,4R,5S)-4-[6-[(3-chlorophenyl)methylamino]-2-(2-phenylethynyl)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide |
Molecular weight | 528.997 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | 3.1 |
Synonyms | BDBM50389145 SCHEMBL10322107 |
Inchi Key | KZUGDLQNHMJHQU-WANRRHMFSA-N |
Inchi ID | InChI=1S/C28H25ClN6O3/c1-30-27(38)28-13-19(28)22(23(36)24(28)37)35-15-32-21-25(31-14-17-8-5-9-18(29)12-17)33-20(34-26(21)35)11-10-16-6-3-2-4-7-16/h2-9,12,15,19,22-24,36-37H,13-14H2,1H3,(H,30,38)(H,31,33,34)/t19-,22-,23+,24+,28+/m1/s1 |
PubChem CID | 57523714 |
ChEMBL | CHEMBL2064653 |
IUPHAR | N/A |
BindingDB | 50389145 |
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 |
---|---|---|---|---|---|
182178 | Adenosine receptor A1 | Q60612 | Adora1 | Mus musculus (Mouse) | 326 |
448869 | Adenosine receptor A1 | P30542 | ADORA1 | Homo sapiens (Human) | 326 |
182177 | Adenosine receptor A2a | Q60613 | Adora2a | Mus musculus (Mouse) | 410 |
182180 | Adenosine receptor A2a | P29274 | ADORA2A | Homo sapiens (Human) | 412 |
182179 | Adenosine receptor A3 | Q61618 | Adora3 | Mus musculus (Mouse) | 319 |
448868 | Adenosine receptor A3 | P0DMS8 | ADORA3 | Homo sapiens (Human) | 318 |
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