In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 23rd, 2010 | 28 | Yes |
None
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) | 1.84 | 2.4 | -14.98 | 4 | 9 | 0 | 126 | 385.424 | 7 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 23 | 0.38 | Binding ≤ 10μM |
AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 455 | 0.32 | Binding ≤ 10μM |
AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 455 | 0.32 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 12 | 0.40 | Binding ≤ 1μM |
AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 420 | 0.32 | Binding ≤ 1μM |
AA2BR_RAT | P29276 | Adenosine A2b Receptor, Rat | 420 | 0.32 | Binding ≤ 1μM |
AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 12 | 0.40 | Binding ≤ 10μM |
AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 420 | 0.32 | Binding ≤ 10μM |
AA2BR_RAT | P29276 | Adenosine A2b Receptor, Rat | 420 | 0.32 | Binding ≤ 10μM |
Description | Species |
---|---|
Adenosine P1 receptors | |
G alpha (i) signalling events | |
G alpha (s) signalling events | |
NGF-independant TRKA activation |