| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 21st, 2009 | 32 | No |
Popular Name: 1-[2-[4-[(E)-1,2-bis(4-iodophenyl)but-1-enyl]phenoxy]ethyl]pyrrolidine 1-[2-[4-[(E)-1,2-bis(4-iodopheny…
| 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) | 8.49 | 19.28 | -34.83 | 1 | 2 | 1 | 14 | 650.362 | 8 | ↓ |
| Hi High (pH 8-9.5) | 8.49 | 16.84 | -3.76 | 0 | 2 | 0 | 12 | 649.354 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| O77823-1-E | Phosphodiesterase 4A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5000 | 0.23 | Functional ≤ 10μM |
| PDE1A-1-E | Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5000 | 0.23 | Functional ≤ 10μM |
| PDE1B-1-E | Phosphodiesterase 1B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5000 | 0.23 | Functional ≤ 10μM |
| PDE1C-1-E | Phosphodiesterase 1C (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5000 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE1A_HUMAN | P54750 | Phosphodiesterase 1A, Human | 5000 | 0.23 | Functional ≤ 10μM |
| PDE1B_HUMAN | Q01064 | Phosphodiesterase 1B, Human | 5000 | 0.23 | Functional ≤ 10μM |
| PDE1C_HUMAN | Q14123 | Phosphodiesterase 1C, Human | 5000 | 0.23 | Functional ≤ 10μM |
| O77823_PIG | O77823 | Phosphodiesterase 4A, Pig | 5000 | 0.23 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Cam-PDE 1 activation | |
| cGMP effects | |
| DARPP-32 events | |
| G alpha (s) signalling events |
