| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2006 | 28 | Yes |
Popular Name: RS.-82856 RS.-82856
Find On: PubMed — Wikipedia — Google
CAS Numbers: 101626-67-9 , 94192-59-3
101626-67-9; D04751; Lixazinone sulfate (USAN)
Lixazinone (INN); Lixazinone Sulfate (USAN)
N-cyclohexyl-N-methyl-4-[(2-oxo-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
| 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) | 2.34 | 9.05 | -21.23 | 1 | 7 | 0 | 74 | 384.48 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE3A-1-E | Phosphodiesterase 3A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.43 | Binding ≤ 10μM |
| PDE3B-1-E | Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.43 | Binding ≤ 10μM |
| PDE4A-1-E | Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6 | 0.41 | Binding ≤ 10μM |
| PDE4B-1-E | Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6 | 0.41 | Binding ≤ 10μM |
| PDE4C-1-E | Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6 | 0.41 | Binding ≤ 10μM |
| PDE4D-1-E | Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6 | 0.41 | Binding ≤ 10μM |
| P2Y12-1-E | Purinergic Receptor P2Y12 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 440 | 0.32 | Functional ≤ 10μM |
| Z50587-4-O | Homo Sapiens (cluster #4 Of 9), Other | Other | 50 | 0.37 | Functional ≤ 10μM |
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 80 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE3A_HUMAN | Q14432 | Phosphodiesterase 3A, Human | 10 | 0.40 | Binding ≤ 1μM |
| PDE3B_HUMAN | Q13370 | Phosphodiesterase 3B, Human | 10 | 0.40 | Binding ≤ 1μM |
| PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 6 | 0.41 | Binding ≤ 1μM |
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 6 | 0.41 | Binding ≤ 1μM |
| PDE4C_HUMAN | Q08493 | Phosphodiesterase 4C, Human | 6 | 0.41 | Binding ≤ 1μM |
| PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 6 | 0.41 | Binding ≤ 1μM |
| PDE3A_HUMAN | Q14432 | Phosphodiesterase 3A, Human | 10 | 0.40 | Binding ≤ 10μM |
| PDE3B_HUMAN | Q13370 | Phosphodiesterase 3B, Human | 10 | 0.40 | Binding ≤ 10μM |
| PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 6 | 0.41 | Binding ≤ 10μM |
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 6 | 0.41 | Binding ≤ 10μM |
| PDE4C_HUMAN | Q08493 | Phosphodiesterase 4C, Human | 6 | 0.41 | Binding ≤ 10μM |
| PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 6 | 0.41 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 110 | 0.35 | Functional ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 80 | 0.35 | Functional ≤ 10μM |
| P2Y12_HUMAN | Q9H244 | Purinergic Receptor P2Y12, Human | 100 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ADP signalling through P2Y purinoceptor 12 | |
| cGMP effects | |
| DARPP-32 events | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| P2Y receptors | |
| PDE3B signalling |
