| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 17th, 2007 | 20 | Yes |
Popular Name: 8-Benzyltheophylline 8-Benzyltheophylline
Find On: PubMed — Wikipedia — Google
CAS Number: 2879-15-4
| 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) | 2.06 | 6.85 | -17.11 | 1 | 6 | 0 | 73 | 270.292 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1500 | 0.41 | Binding ≤ 10μM |
| ADCY2-1-E | Adenylate Cyclase Type II (cluster #1 Of 2), Eukaryotic | Eukaryotes | 890 | 0.42 | Binding ≤ 10μM |
| ADCY3-1-E | Adenylate Cyclase Type III (cluster #1 Of 2), Eukaryotic | Eukaryotes | 890 | 0.42 | Binding ≤ 10μM |
| ADCY4-1-E | Adenylate Cyclase Type IV (cluster #1 Of 2), Eukaryotic | Eukaryotes | 890 | 0.42 | Binding ≤ 10μM |
| ADCY5-1-E | Adenylate Cyclase Type V (cluster #1 Of 2), Eukaryotic | Eukaryotes | 890 | 0.42 | Binding ≤ 10μM |
| ADCY6-1-E | Adenylate Cyclase Type VI (cluster #1 Of 2), Eukaryotic | Eukaryotes | 890 | 0.42 | Binding ≤ 10μM |
| ADCY8-2-E | Adenylate Cyclase Type VIII (cluster #2 Of 2), Eukaryotic | Eukaryotes | 890 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADCY2_RAT | P26769 | Adenylate Cyclase Type II, Rat | 890 | 0.42 | Binding ≤ 1μM |
| ADCY3_RAT | P21932 | Adenylate Cyclase Type III, Rat | 890 | 0.42 | Binding ≤ 1μM |
| ADCY4_RAT | P26770 | Adenylate Cyclase Type IV, Rat | 890 | 0.42 | Binding ≤ 1μM |
| ADCY5_RAT | Q04400 | Adenylate Cyclase Type V, Rat | 890 | 0.42 | Binding ≤ 1μM |
| ADCY6_RAT | Q03343 | Adenylate Cyclase Type VI, Rat | 890 | 0.42 | Binding ≤ 1μM |
| ADCY8_RAT | P40146 | Adenylate Cyclase Type VIII, Rat | 890 | 0.42 | Binding ≤ 1μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 1500 | 0.41 | Binding ≤ 10μM |
| ADCY2_RAT | P26769 | Adenylate Cyclase Type II, Rat | 890 | 0.42 | Binding ≤ 10μM |
| ADCY3_RAT | P21932 | Adenylate Cyclase Type III, Rat | 890 | 0.42 | Binding ≤ 10μM |
| ADCY4_RAT | P26770 | Adenylate Cyclase Type IV, Rat | 890 | 0.42 | Binding ≤ 10μM |
| ADCY5_RAT | Q04400 | Adenylate Cyclase Type V, Rat | 890 | 0.42 | Binding ≤ 10μM |
| ADCY6_RAT | Q03343 | Adenylate Cyclase Type VI, Rat | 890 | 0.42 | Binding ≤ 10μM |
| ADCY8_RAT | P40146 | Adenylate Cyclase Type VIII, Rat | 890 | 0.42 | Binding ≤ 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 | |
| PKA activation | |
| PKA activation in glucagon signalling | |
| Vasopressin regulates renal water homeostasis via Aquaporins |
