| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 15th, 2008 | 19 | Yes |
Popular Name: 3-Isobutyl-8-(methoxymethyl)-1-methyl-1H-purine-2,6(3H,7H)-dione 3-Isobutyl-8-(methoxymethyl)-1-m…
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CAS Numbers: 78033-08-6 , [78033-08-6]
| 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) | 1.18 | 4.24 | -8.39 | 1 | 7 | 0 | 82 | 266.301 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE1A-1-E | Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.37 | Binding ≤ 10μM |
| PDE1B-1-E | Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8000 | 0.38 | Binding ≤ 10μM |
| PDE5A-1-E | Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE1A_HUMAN | P54750 | Phosphodiesterase 1A, Human | 10000 | 0.37 | Binding ≤ 10μM |
| PDE1A_BOVIN | P14100 | Phosphodiesterase 1A, Bovin | 8000 | 0.38 | Binding ≤ 10μM |
| PDE1B_BOVIN | Q01061 | Phosphodiesterase 1B, Bovin | 8000 | 0.38 | Binding ≤ 10μM |
| PDE5A_BOVIN | Q28156 | Phosphodiesterase 5A, Bovin | 10000 | 0.37 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Cam-PDE 1 activation | |
| cGMP effects | |
| G alpha (s) signalling events |
No pre-computed analogs available. Try a structural similarity search.