| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 21st, 2005 | 17 | Yes |
Popular Name: 1,3-Dipropyl-1H-purine-2,6(3H,7H)-dione 1,3-Dipropyl-1H-purine-2,6(3H,7H…
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CAS Number: 31542-62-8
| 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) | 1.75 | 0.06 | -10.94 | 1 | 6 | 0 | 72 | 236.275 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 210 | 0.55 | Binding ≤ 10μM |
| AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3000 | 0.45 | Binding ≤ 10μM |
| AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6600 | 0.43 | Binding ≤ 10μM |
| ADCY1-1-E | Brain Adenylate Cyclase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1900 | 0.47 | Binding ≤ 10μM |
| ADCY2-1-E | Adenylate Cyclase Type II (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1900 | 0.47 | Binding ≤ 10μM |
| ADCY3-1-E | Adenylate Cyclase Type III (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1900 | 0.47 | Binding ≤ 10μM |
| ADCY5-1-E | Adenylate Cyclase Type V (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1900 | 0.47 | Binding ≤ 10μM |
| ADCY6-1-E | Adenylate Cyclase Type VI (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1900 | 0.47 | Binding ≤ 10μM |
| ADCY7-1-E | Adenylate Cyclase Type VII (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1900 | 0.47 | Binding ≤ 10μM |
| ADCY8-2-E | Adenylate Cyclase Type VIII (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1900 | 0.47 | Binding ≤ 10μM |
| ADCY9-1-E | Adenylate Cyclase Type IX (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1900 | 0.47 | Binding ≤ 10μM |
| AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2700 | 0.46 | Functional ≤ 10μM |
| AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 680 | 0.51 | Functional ≤ 10μM |
| Z50512-5-O | Cavia Porcellus (cluster #5 Of 7), Other | Other | 8100 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R_HUMAN | P30542 | Adenosine A1 Receptor, Human | 1000 | 0.49 | Binding ≤ 1μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 450 | 0.52 | Binding ≤ 1μM |
| AA1R_HUMAN | P30542 | Adenosine A1 Receptor, Human | 1000 | 0.49 | Binding ≤ 10μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 1500 | 0.48 | Binding ≤ 10μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 2400 | 0.46 | Binding ≤ 10μM |
| AA2AR_HUMAN | P29274 | Adenosine A2a Receptor, Human | 2400 | 0.46 | Binding ≤ 10μM |
| AA2AR_CAVPO | P46616 | Adenosine A2a Receptor, Guinea Pig | 3000 | 0.45 | Binding ≤ 10μM |
| AA2BR_RAT | P29276 | Adenosine A2b Receptor, Rat | 2400 | 0.46 | Binding ≤ 10μM |
| AA2BR_HUMAN | P29275 | Adenosine A2b Receptor, Human | 1110 | 0.49 | Binding ≤ 10μM |
| ADCY2_HUMAN | Q08462 | Adenylate Cyclase Type II, Human | 1900 | 0.47 | Binding ≤ 10μM |
| ADCY3_HUMAN | O60266 | Adenylate Cyclase Type III, Human | 1900 | 0.47 | Binding ≤ 10μM |
| ADCY9_HUMAN | O60503 | Adenylate Cyclase Type IX, Human | 1900 | 0.47 | Binding ≤ 10μM |
| ADCY5_HUMAN | O95622 | Adenylate Cyclase Type V, Human | 1900 | 0.47 | Binding ≤ 10μM |
| ADCY6_HUMAN | O43306 | Adenylate Cyclase Type VI, Human | 1900 | 0.47 | Binding ≤ 10μM |
| ADCY7_HUMAN | P51828 | Adenylate Cyclase Type VII, Human | 1900 | 0.47 | Binding ≤ 10μM |
| ADCY8_HUMAN | P40145 | Adenylate Cyclase Type VIII, Human | 1900 | 0.47 | Binding ≤ 10μM |
| ADCY1_HUMAN | Q08828 | Brain Adenylate Cyclase 1, Human | 1900 | 0.47 | Binding ≤ 10μM |
| AA2AR_CAVPO | P46616 | Adenosine A2a Receptor, Guinea Pig | 2700 | 0.46 | Functional ≤ 10μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 680 | 0.51 | Functional ≤ 10μM |
| AA2AR_HUMAN | P29274 | Adenosine A2a Receptor, Human | 2700 | 0.46 | Functional ≤ 10μM |
| AA2BR_RAT | P29276 | Adenosine A2b Receptor, Rat | 680 | 0.51 | Functional ≤ 10μM |
| AA2BR_HUMAN | P29275 | Adenosine A2b Receptor, Human | 2700 | 0.46 | Functional ≤ 10μM |
| Z50512 | Z50512 | Cavia Porcellus | 50 | 0.60 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| Adenylate cyclase activating pathway | |
| Adenylate cyclase inhibitory pathway | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| CREB phosphorylation through the activation of Adenylate Cyclase | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| G alpha (z) signalling events | |
| Glucagon signaling in metabolic regulation | |
| Glucagon-like Peptide-1 (GLP1) regulates insulin secretion | |
| NGF-independant TRKA activation | |
| PKA activation | |
| PKA activation in glucagon signalling | |
| Vasopressin regulates renal water homeostasis via Aquaporins |
