In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2005 | 28 | No |
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) | 3.53 | -1.2 | -15.89 | 1 | 5 | 0 | 57 | 375.472 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 17 | 0.39 | Binding ≤ 10μM |
AA1R-1-E | Adenosine A1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.45 | Functional ≤ 10μM |
AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1180 | 0.30 | Functional ≤ 10μM |
AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1180 | 0.30 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 17.2 | 0.39 | Binding ≤ 1μM |
AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 17.2 | 0.39 | Binding ≤ 10μM |
AA1R_HUMAN | P30542 | Adenosine A1 Receptor, Human | 0.56 | 0.46 | Functional ≤ 10μM |
AA2AR_HUMAN | P29274 | Adenosine A2a Receptor, Human | 1180 | 0.30 | Functional ≤ 10μM |
AA2BR_HUMAN | P29275 | Adenosine A2b Receptor, Human | 1180 | 0.30 | Functional ≤ 10μM |
Description | Species |
---|---|
Adenosine P1 receptors | |
G alpha (i) signalling events | |
G alpha (s) signalling events | |
NGF-independant TRKA activation |