| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 29 | Yes |
Popular Name: 4-[(1R)-1-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-(4-pyridyl)ethyl]phenol 4-[(1R)-1-[3-(cyclopentoxy)-4-me…
None
| 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) | 4.58 | 10.16 | -11.24 | 1 | 4 | 0 | 52 | 389.495 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.58 | 10.44 | -41.56 | 2 | 4 | 1 | 53 | 390.503 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US6077854 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4A-1-E | Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5 | 0.40 | Binding ≤ 10μM |
| Z50587-4-O | Homo Sapiens (cluster #4 Of 9), Other | Other | 6900 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 5 | 0.40 | Binding ≤ 1μM |
| PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 5 | 0.40 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 6900 | 0.25 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| DARPP-32 events | |
| G alpha (s) signalling events |
