| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 25 | Yes |
Popular Name: 3-[(2-chlorophenyl)methyl]-N-[(1S,3S)-3-methylcyclohexyl]triazolo[4,5-e]pyrimidin-7-amine 3-[(2-chlorophenyl)methyl]-N-[(1…
| 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) | 3.87 | 10.68 | -7.59 | 1 | 6 | 0 | 69 | 356.861 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 102 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R_BOVIN | P28190 | Adenosine A1 Receptor, Bovin | 102 | 0.39 | Binding ≤ 1μM |
| AA1R_BOVIN | P28190 | Adenosine A1 Receptor, Bovin | 102 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (i) signalling events |
