| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 15th, 2004 | 26 | Yes |
Popular Name: N6-BENZYLADENOSINE N6-BENZYLADENOSINE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4294-16-0 , [4294-16-0]
| 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) | 0.92 | 0.58 | -15 | 4 | 9 | 0 | 126 | 357.37 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0322242A2; EP0322242B1; EP0689405A1; EP0755255A1; EP0885192A1; US5292725; US5573772; US5773424; WO1988008303A1; WO1994021195A1; WO1995002604A1; WO1996018398A1; WO1997027177A2; WO1998056385A1; WO2000053727A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 4450 | 0.29 | Binding ≤ 10μM |
| AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 733 | 0.33 | Binding ≤ 10μM |
| AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 350 | 0.35 | Binding ≤ 10μM |
| AA3R-2-E | Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 550 | 0.34 | Binding ≤ 10μM |
| ADCY2-1-E | Adenylate Cyclase Type II (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2200 | 0.30 | Binding ≤ 10μM |
| ADCY3-1-E | Adenylate Cyclase Type III (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2200 | 0.30 | Binding ≤ 10μM |
| ADCY4-1-E | Adenylate Cyclase Type IV (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2200 | 0.30 | Binding ≤ 10μM |
| ADCY5-1-E | Adenylate Cyclase Type V (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2200 | 0.30 | Binding ≤ 10μM |
| ADCY6-1-E | Adenylate Cyclase Type VI (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2200 | 0.30 | Binding ≤ 10μM |
| ADCY8-2-E | Adenylate Cyclase Type VIII (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2200 | 0.30 | Binding ≤ 10μM |
| S29A1-1-E | Equilibrative Nucleoside Transporter 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 203 | 0.36 | Binding ≤ 10μM |
| AA3R-1-E | Adenosine A3 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 384 | 0.35 | Functional ≤ 10μM |
| Z50597-2-O | Rattus Norvegicus (cluster #2 Of 5), Other | Other | 203 | 0.36 | Binding ≤ 10μM |
| Z80156-2-O | HL-60 (Promyeloblast Leukemia Cells) (cluster #2 Of 12), Other | Other | 940 | 0.32 | Functional ≤ 10μM |
| Z80186-1-O | K562 (Erythroleukemia Cells) (cluster #1 Of 11), Other | Other | 5500 | 0.28 | Functional ≤ 10μM |
| Z80874-1-O | CEM (T-cell Leukemia) (cluster #1 Of 7), Other | Other | 1400 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 120 | 0.37 | Binding ≤ 1μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 280 | 0.35 | Binding ≤ 1μM |
| AA2BR_RAT | P29276 | Adenosine A2b Receptor, Rat | 280 | 0.35 | Binding ≤ 1μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 41.3 | 0.40 | Binding ≤ 1μM |
| AA3R_RAT | P28647 | Adenosine A3 Receptor, Rat | 120 | 0.37 | Binding ≤ 1μM |
| S29A1_RAT | O54698 | Equilibrative Nucleoside Transporter 1, Rat | 203 | 0.36 | Binding ≤ 1μM |
| Z50597 | Z50597 | Rattus Norvegicus | 203 | 0.36 | Binding ≤ 1μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 120 | 0.37 | Binding ≤ 10μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 280 | 0.35 | Binding ≤ 10μM |
| AA2BR_RAT | P29276 | Adenosine A2b Receptor, Rat | 280 | 0.35 | Binding ≤ 10μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 41.3 | 0.40 | Binding ≤ 10μM |
| AA3R_RAT | P28647 | Adenosine A3 Receptor, Rat | 120 | 0.37 | Binding ≤ 10μM |
| ADCY2_RAT | P26769 | Adenylate Cyclase Type II, Rat | 2200 | 0.30 | Binding ≤ 10μM |
| ADCY3_RAT | P21932 | Adenylate Cyclase Type III, Rat | 2200 | 0.30 | Binding ≤ 10μM |
| ADCY4_RAT | P26770 | Adenylate Cyclase Type IV, Rat | 2200 | 0.30 | Binding ≤ 10μM |
| ADCY5_RAT | Q04400 | Adenylate Cyclase Type V, Rat | 2200 | 0.30 | Binding ≤ 10μM |
| ADCY6_RAT | Q03343 | Adenylate Cyclase Type VI, Rat | 2200 | 0.30 | Binding ≤ 10μM |
| ADCY8_RAT | P40146 | Adenylate Cyclase Type VIII, Rat | 2200 | 0.30 | Binding ≤ 10μM |
| S29A1_RAT | O54698 | Equilibrative Nucleoside Transporter 1, Rat | 203 | 0.36 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 203 | 0.36 | Binding ≤ 10μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 384 | 0.35 | Functional ≤ 10μM |
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 1400 | 0.32 | Functional ≤ 10μM |
| Z80156 | Z80156 | HL-60 (Promyeloblast Leukemia Cells) | 940 | 0.32 | Functional ≤ 10μM |
| Z80186 | Z80186 | K562 (Erythroleukemia Cells) | 5500 | 0.28 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| Adenylate cyclase activating pathway | |
| Adenylate cyclase inhibitory pathway | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| G alpha (z) signalling events | |
| Glucagon signaling in metabolic regulation | |
| NGF-independant TRKA activation | |
| PKA activation | |
| PKA activation in glucagon signalling | |
| Transport of nucleosides and free purine and pyrimidine bases across the plasma | |
| Vasopressin regulates renal water homeostasis via Aquaporins |
