| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 32 | Yes |
Popular Name: ethyl 6-[4-(anilinocarbonyl)piperazino]-5-cyano-2-(trifluoromethyl)nicotinate ethyl 6-[4-(anilinocarbonyl)pipe…
| 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) | 3.58 | 9.68 | -15.61 | 1 | 8 | 0 | 99 | 447.417 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2Y12-1-E | Purinergic Receptor P2Y12 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 680 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2Y12_HUMAN | Q9H244 | Purinergic Receptor P2Y12, Human | 320 | 0.28 | Binding ≤ 1μM |
| P2Y12_HUMAN | Q9H244 | Purinergic Receptor P2Y12, Human | 320 | 0.28 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| ADP signalling through P2Y purinoceptor 12 | |
| G alpha (i) signalling events | |
| P2Y receptors |
