In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2008 | 22 | Yes |
Popular Name: (2R,3R,4S,5R)-2-[6-(cyclopropylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol (2R,3R,4S,5R)-2-[6-(cyclopropyla…
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) | -0.11 | -10.96 | -15.29 | 4 | 9 | 0 | 126 | 307.31 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
PUBCHEM_PATENT_ID | WO1994023723A1 | 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 | 319 | 0.41 | Binding ≤ 10μM |
AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 510 | 0.40 | Binding ≤ 10μM |
AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1240 | 0.38 | Binding ≤ 10μM |
AA1R-1-E | Adenosine A1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 709 | 0.39 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 2.1 | 0.55 | Binding ≤ 1μM |
AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 510 | 0.40 | Binding ≤ 1μM |
AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 2.1 | 0.55 | Binding ≤ 10μM |
AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 1240 | 0.38 | Binding ≤ 10μM |
AA2BR_RAT | P29276 | Adenosine A2b Receptor, Rat | 1240 | 0.38 | Binding ≤ 10μM |
AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 709 | 0.39 | Functional ≤ 10μM |
Description | Species |
---|---|
Adenosine P1 receptors | |
G alpha (i) signalling events | |
G alpha (s) signalling events | |
NGF-independant TRKA activation |