| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 14th, 2009 | 30 | Yes |
Popular Name: PF-2545920 PF-2545920
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1037309-45-7 , 1292799-56-4
2-((4-(1-Methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenoxy)methyl)quinoline succinate
2-((4-(1-Methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenoxy)methyl)quinolinesuccinate
2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline
| 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) | 4.22 | 11.18 | -12.98 | 0 | 5 | 0 | 53 | 392.462 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.22 | 11.66 | -44.46 | 1 | 5 | 1 | 54 | 393.47 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.49e-03 g/l | DrugBank-experimental |
| Target | PDE | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE10-1-E | Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE10_RAT | Q9QYJ6 | CAMP And CAMP-inhibited CGMP 3',5'-cyclic Phosphodiesterase 10A, Rat | 0.18 | 0.45 | Binding ≤ 1μM |
| PDE10_HUMAN | Q9Y233 | Phosphodiesterase 10A, Human | 1.34 | 0.41 | Binding ≤ 1μM |
| PDE10_RAT | Q9QYJ6 | CAMP And CAMP-inhibited CGMP 3',5'-cyclic Phosphodiesterase 10A, Rat | 0.18 | 0.45 | Binding ≤ 10μM |
| PDE10_HUMAN | Q9Y233 | Phosphodiesterase 10A, Human | 1.34 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| cGMP effects | |
| G alpha (s) signalling events |
No pre-computed analogs available. Try a structural similarity search.