| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 17 | Yes |
Popular Name: 4-methyl-3-(4-pyridyl)-5,7-diazabicyclo[4.3.0]nona-2,4,10-trien-8-one 4-methyl-3-(4-pyridyl)-5,7-diaza…
| 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) | 1.08 | -1.62 | -9.35 | 1 | 4 | 0 | 54 | 225.251 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE3A-1-E | Phosphodiesterase 3A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 100 | 0.58 | Binding ≤ 10μM |
| PDE3B-1-E | Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 100 | 0.58 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE3A_HUMAN | Q14432 | Phosphodiesterase 3A, Human | 100 | 0.58 | Binding ≤ 1μM |
| PDE3B_HUMAN | Q13370 | Phosphodiesterase 3B, Human | 100 | 0.58 | Binding ≤ 1μM |
| PDE3A_HUMAN | Q14432 | Phosphodiesterase 3A, Human | 100 | 0.58 | Binding ≤ 10μM |
| PDE3B_HUMAN | Q13370 | Phosphodiesterase 3B, Human | 100 | 0.58 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| cGMP effects | |
| G alpha (s) signalling events | |
| PDE3B signalling |
