| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 35 | No |
Popular Name: 1-amino-4-(4-anilinoanilino)-9,10-dioxo-anthracene-2-sulfonic 1-amino-4-(4-anilinoanilino)-9,1…
| 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) | 3.96 | 6.92 | -49.58 | 4 | 8 | -1 | 141 | 484.513 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2Y12-1-E | Purinergic Receptor P2Y12 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1850 | 0.23 | Binding ≤ 10μM |
| P2RY2-1-E | Purinergic Receptor P2Y2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3930 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2Y12_HUMAN | Q9H244 | Purinergic Receptor P2Y12, Human | 1850 | 0.23 | Binding ≤ 10μM |
| P2RY2_HUMAN | P41231 | Purinergic Receptor P2Y2, Human | 3930 | 0.22 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ADP signalling through P2Y purinoceptor 12 | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| P2Y receptors |
