| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 19 | Yes |
Popular Name: 3'-Amino-3'-deoxyadenosine 3'-Amino-3'-deoxyadenosine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2504-55-4 , [2504-55-4]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -2.30 | -4.7 | -53.12 | 7 | 9 | 1 | 147 | 267.269 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -2.30 | -4.33 | -105.64 | 8 | 9 | 2 | 148 | 268.277 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -2.30 | -8.71 | -97.75 | 8 | 9 | 2 | 148 | 268.277 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0238672A1; EP0420872A1; EP0420872B1; EP0716856A2; EP0716856A3; US4859768; US4900407; US5386020; US5620676; US5700785; US5712258; WO1989012380A2; WO1996029345A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA3R-2-E | Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 75 | 0.52 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 442 | 0.47 | Binding ≤ 1μM |
| AA3R_RAT | P28647 | Adenosine A3 Receptor, Rat | 84 | 0.52 | Binding ≤ 1μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 442 | 0.47 | Binding ≤ 10μM |
| AA3R_RAT | P28647 | Adenosine A3 Receptor, Rat | 84 | 0.52 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (i) signalling events |
