| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2004 | 20 | Yes |
(4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one
2-Imidazolidinone, 4-((3-butoxy-4-methoxyphenyl)methyl)-; LS-183352; Ro 20-1724
| 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) | 2.49 | 3.81 | -14.22 | 2 | 5 | 0 | 60 | 278.352 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.88e-01 g/l | DrugBank-experimental |
| therap | cAMP PDE inhibitor, inhibits cellular adhesion and superoxide & platelet aggregation | MicroSource Spectrum |
| Therapy | Potent and selective cAMP phosphodiesterase inhibitor | SMDC Iconix |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE3A-1-E | Phosphodiesterase 3A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9100 | 0.35 | Binding ≤ 10μM |
| PDE3B-1-E | Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9100 | 0.35 | Binding ≤ 10μM |
| PDE4A-1-E | Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6000 | 0.37 | Binding ≤ 10μM |
| PDE4B-1-E | Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9100 | 0.35 | Binding ≤ 10μM |
| PDE4C-1-E | Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9100 | 0.35 | Binding ≤ 10μM |
| PDE4D-1-E | Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9100 | 0.35 | Binding ≤ 10μM |
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 120 | 0.48 | Functional ≤ 10μM |
| Z50587-4-O | Homo Sapiens (cluster #4 Of 9), Other | Other | 1800 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE3A_HUMAN | Q14432 | Phosphodiesterase 3A, Human | 9100 | 0.35 | Binding ≤ 10μM |
| PDE3B_HUMAN | Q13370 | Phosphodiesterase 3B, Human | 9100 | 0.35 | Binding ≤ 10μM |
| PDE4A_RAT | P54748 | Phosphodiesterase 4A, Rat | 6000 | 0.37 | Binding ≤ 10μM |
| PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 4800 | 0.37 | Binding ≤ 10μM |
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 1930 | 0.40 | Binding ≤ 10μM |
| PDE4B_RAT | P14646 | Phosphodiesterase 4B, Rat | 6000 | 0.37 | Binding ≤ 10μM |
| PDE4C_HUMAN | Q08493 | Phosphodiesterase 4C, Human | 4800 | 0.37 | Binding ≤ 10μM |
| PDE4C_RAT | P14644 | Phosphodiesterase 4C, Rat | 6000 | 0.37 | Binding ≤ 10μM |
| PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 4800 | 0.37 | Binding ≤ 10μM |
| PDE4D_RAT | P14270 | Phosphodiesterase 4D, Rat | 6000 | 0.37 | Binding ≤ 10μM |
| Z50512 | Z50512 | Cavia Porcellus | 120 | 0.48 | Functional ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 1800 | 0.40 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| cGMP effects | |
| DARPP-32 events | |
| G alpha (s) signalling events | |
| PDE3B signalling |
