| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 28 | Yes |
Popular Name: 4-[2-(3-cyclopentoxy-4-methoxy-phenyl)-2-(4-pyridyl)ethyl]pyridine 4-[2-(3-cyclopentoxy-4-methoxy-p…
| 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) | 3.77 | 1.22 | -11.04 | 0 | 4 | 0 | 44 | 374.484 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.77 | 1.44 | -101.4 | 2 | 4 | 2 | 46 | 376.5 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.77 | 1.33 | -45.28 | 1 | 4 | 1 | 45 | 375.492 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 3.77 | 1.33 | -42.74 | 1 | 4 | 1 | 45 | 375.492 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4A-1-E | Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8 | 0.40 | Binding ≤ 10μM |
| Z50587-4-O | Homo Sapiens (cluster #4 Of 9), Other | Other | 6500 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 8 | 0.40 | Binding ≤ 1μM |
| PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 8 | 0.40 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 6500 | 0.26 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| DARPP-32 events | |
| G alpha (s) signalling events |
