| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 25 | Yes |
144035-83-6; D05474; Piclamilast (USAN/INN)
3-(cyclopentyloxy)-N-(3,5-dichloro-4-pyridyl)-4-methoxybenzamide
3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide
| 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) | 4.23 | -0.39 | -9.74 | 1 | 5 | 0 | 60 | 381.259 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 6.10e-03 g/l | DrugBank-experimental |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| O77823-1-E | Phosphodiesterase 4A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.50 | Binding ≤ 10μM |
| PDE4A-1-E | Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 26 | 0.42 | Binding ≤ 10μM |
| PDE4B-1-E | Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9 | 0.45 | Binding ≤ 10μM |
| PDE4C-1-E | Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9 | 0.45 | Binding ≤ 10μM |
| PDE4D-1-E | Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9 | 0.45 | Binding ≤ 10μM |
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 24 | 0.43 | Functional ≤ 10μM |
| Z50587-4-O | Homo Sapiens (cluster #4 Of 9), Other | Other | 80 | 0.40 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 70 | 0.40 | Functional ≤ 10μM |
| Z80566-1-O | U-937 (Histiocytic Lymphoma Cells) (cluster #1 Of 2), Other | Other | 40 | 0.41 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE4A_RAT | P54748 | Phosphodiesterase 4A, Rat | 26 | 0.42 | Binding ≤ 1μM |
| PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 0.3 | 0.53 | Binding ≤ 1μM |
| O77823_PIG | O77823 | Phosphodiesterase 4A, Pig | 1 | 0.50 | Binding ≤ 1μM |
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 0.1 | 0.56 | Binding ≤ 1μM |
| PDE4B_RAT | P14646 | Phosphodiesterase 4B, Rat | 26 | 0.42 | Binding ≤ 1μM |
| PDE4C_HUMAN | Q08493 | Phosphodiesterase 4C, Human | 0.3 | 0.53 | Binding ≤ 1μM |
| PDE4D_RAT | P14270 | Phosphodiesterase 4D, Rat | 26 | 0.42 | Binding ≤ 1μM |
| PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 0.1 | 0.56 | Binding ≤ 1μM |
| O77823_PIG | O77823 | Phosphodiesterase 4A, Pig | 1 | 0.50 | Binding ≤ 10μM |
| PDE4A_RAT | P54748 | Phosphodiesterase 4A, Rat | 26 | 0.42 | Binding ≤ 10μM |
| PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 0.3 | 0.53 | Binding ≤ 10μM |
| PDE4B_RAT | P14646 | Phosphodiesterase 4B, Rat | 26 | 0.42 | Binding ≤ 10μM |
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 0.1 | 0.56 | Binding ≤ 10μM |
| PDE4C_HUMAN | Q08493 | Phosphodiesterase 4C, Human | 0.3 | 0.53 | Binding ≤ 10μM |
| PDE4D_RAT | P14270 | Phosphodiesterase 4D, Rat | 26 | 0.42 | Binding ≤ 10μM |
| PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 0.1 | 0.56 | Binding ≤ 10μM |
| Z50512 | Z50512 | Cavia Porcellus | 24 | 0.43 | Functional ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 1.3 | 0.50 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 70 | 0.40 | Functional ≤ 10μM |
| Z80566 | Z80566 | U-937 (Histiocytic Lymphoma Cells) | 40 | 0.41 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| DARPP-32 events | |
| G alpha (s) signalling events |
