| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 8th, 2009 | 39 | No |
Popular Name: BRD-A06784547-001-01-8 BRD-A06784547-001-01-8
Find On: PubMed — Wikipedia — Google
CAS Number: 192053-05-7
| 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) | 6.53 | 18.89 | -18.24 | 1 | 8 | 0 | 110 | 522.557 | 9 | ↓ |
| Ref Reference (pH 7) | 5.78 | 17.7 | -47.19 | 0 | 8 | -1 | 117 | 521.549 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA3R-1-E | Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 3 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 0.1 | 0.36 | Binding ≤ 1μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 0.1 | 0.36 | Binding ≤ 10μM |
| AA3R_RAT | P28647 | Adenosine A3 Receptor, Rat | 3850 | 0.19 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (i) signalling events |
No pre-computed analogs available. Try a structural similarity search.