3'-Amino-3'-deoxyadenosine
AlkaPlorer ID: AK005922
Synonym: None
IUPAC Name: (2R,3R,4S,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
Structure
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N)O)N
InChI: InChI=1S/C10H14N6O3/c11-5-4(1-17)19-10(7(5)18)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1,11H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
InChIKey: ILDPUOKUEKVHIL-QYYRPYCUSA-N
Reference
PubChem CID: 65102
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 266.261
TPSA？: 145.33
MolLogP？: -2.0135999999999985
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Adenosine A3 receptor | Ki | 75.0 | nM | 10.1021/jm010232o |
| Homo sapiens | Adenosine A3 receptor | Ki | 442.0 | nM | 10.1021/jm010232o |
| Rattus norvegicus | Adenosine A1 receptor | Ki | 10.0 | nM | 10.1021/jm010232o |
| Rattus norvegicus | Adenosine A2a receptor | Ki | 10.0 | nM | 10.1021/jm010232o |
| Rattus norvegicus | Adenosine A3 receptor | Ki | 84.0 | nM | 10.1021/jm010232o |
| Semliki Forest virus | Semliki Forest virus | Activity | 12.0 | % | 10.1021/np9003245 |
| Semliki Forest virus | Semliki Forest virus | IC50 | 18000.0 | nM | 10.1021/np9003245 |
| Vibrio harveyi | Autoinducer 1 sensor kinase/phosphatase luxN | IC50 | 2900.0 | nM | 10.1016/j.ejmech.2020.112741 |