| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 16th, 2007 | 29 | Yes |
Popular Name: (4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-bromophenyl)-methanone (4-anilino-2-ethyl-3-methyl-3,4-…
| 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) | 6.75 | -0.2 | -4.7 | 1 | 3 | 0 | 32 | 449.392 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RY1-1-E | Purinergic Receptor P2Y1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 100 | 0.34 | Binding ≤ 10μM |
| P2RY1-1-E | P2Y Purinoceptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 800 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RY1_HUMAN | P47900 | Purinergic Receptor P2Y1, Human | 100 | 0.34 | Binding ≤ 1μM |
| P2RY1_HUMAN | P47900 | Purinergic Receptor P2Y1, Human | 100 | 0.34 | Binding ≤ 10μM |
| P2RY1_HUMAN | P47900 | Purinergic Receptor P2Y1, Human | 800 | 0.29 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ADP signalling through P2Y purinoceptor 1 | |
| G alpha (q) signalling events | |
| P2Y receptors |
