| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 21 | Yes |
Popular Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-methyl-xanthine 8-amino-1,3-bis(cyclopropylmethy…
| 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) | 1.61 | -1.07 | -10.5 | 2 | 7 | 0 | 87 | 289.339 | 4 | ↓ |
| Mid Mid (pH 6-8) | -3.08 | -0.8 | -39.72 | 3 | 7 | 1 | 89 | 290.347 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4A-3-E | Phosphodiesterase 4A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 810 | 0.41 | Binding ≤ 10μM |
| PDE4B-2-E | Phosphodiesterase 4B (cluster #2 Of 2), Eukaryotic | Eukaryotes | 810 | 0.41 | Binding ≤ 10μM |
| PDE4C-2-E | Phosphodiesterase 4C (cluster #2 Of 2), Eukaryotic | Eukaryotes | 810 | 0.41 | Binding ≤ 10μM |
| PDE4D-2-E | Phosphodiesterase 4D (cluster #2 Of 2), Eukaryotic | Eukaryotes | 810 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4A_RAT | P54748 | Phosphodiesterase 4A, Rat | 810 | 0.41 | Binding ≤ 1μM |
| PDE4B_RAT | P14646 | Phosphodiesterase 4B, Rat | 810 | 0.41 | Binding ≤ 1μM |
| PDE4C_RAT | P14644 | Phosphodiesterase 4C, Rat | 810 | 0.41 | Binding ≤ 1μM |
| PDE4D_RAT | P14270 | Phosphodiesterase 4D, Rat | 810 | 0.41 | Binding ≤ 1μM |
| PDE4A_RAT | P54748 | Phosphodiesterase 4A, Rat | 810 | 0.41 | Binding ≤ 10μM |
| PDE4B_RAT | P14646 | Phosphodiesterase 4B, Rat | 810 | 0.41 | Binding ≤ 10μM |
| PDE4C_RAT | P14644 | Phosphodiesterase 4C, Rat | 810 | 0.41 | Binding ≤ 10μM |
| PDE4D_RAT | P14270 | Phosphodiesterase 4D, Rat | 810 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| DARPP-32 events | |
| G alpha (s) signalling events |
