| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 3rd, 2006 | 21 | Yes |
Popular Name: N-[(2-chloro-4-fluoro-phenyl)methyl]-1-isopropyl-5-oxo-pyrrolidine-2-carboxamide N-[(2-chloro-4-fluoro-phenyl)met…
| 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) | 2.00 | 6.26 | -13.33 | 1 | 4 | 0 | 49 | 312.772 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX7-1-E | P2X Purinoceptor 7 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 316 | 0.43 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX7_HUMAN | Q99572 | P2X Purinoceptor 7, Human | 316.227766 | 0.43 | Binding ≤ 1μM |
| P2RX7_HUMAN | Q99572 | P2X Purinoceptor 7, Human | 316.227766 | 0.43 | Binding ≤ 10μM |
| P2RX7_RAT | Q64663 | P2X Purinoceptor 7, Rat | 10000 | 0.33 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| The NLRP3 inflammasome |
