| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2005 | 23 | Yes |
Popular Name: 2-(2-Ethoxyphenyl)-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(3H)-one 2-(2-Ethoxyphenyl)-5-methyl-7-pr…
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CAS Numbers: 224789-21-3 , [224789-21-3]
2-(2-Ethoxy-phenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
2-(2-Ethoxyphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
Imidazo[5,1-f][1,2,4]triazin-4(1H)-one, 2-(2-ethoxyphenyl)-5-methyl-7-propyl-
| 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) | 3.00 | 0.6 | -11.93 | 1 | 6 | 0 | 72 | 312.373 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE1A-1-E | Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 300 | 0.40 | Binding ≤ 10μM |
| PDE1B-1-E | Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 300 | 0.40 | Binding ≤ 10μM |
| PDE1C-1-E | Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic | Eukaryotes | 300 | 0.40 | Binding ≤ 10μM |
| PDE5A-1-E | Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE1A_HUMAN | P54750 | Phosphodiesterase 1A, Human | 300 | 0.40 | Binding ≤ 1μM |
| PDE1A_BOVIN | P14100 | Phosphodiesterase 1A, Bovin | 300 | 0.40 | Binding ≤ 1μM |
| PDE1B_HUMAN | Q01064 | Phosphodiesterase 1B, Human | 300 | 0.40 | Binding ≤ 1μM |
| PDE1B_BOVIN | Q01061 | Phosphodiesterase 1B, Bovin | 300 | 0.40 | Binding ≤ 1μM |
| PDE1C_HUMAN | Q14123 | Phosphodiesterase 1C, Human | 300 | 0.40 | Binding ≤ 1μM |
| PDE5A_HUMAN | O76074 | Phosphodiesterase 5A, Human | 5 | 0.51 | Binding ≤ 1μM |
| PDE1A_HUMAN | P54750 | Phosphodiesterase 1A, Human | 300 | 0.40 | Binding ≤ 10μM |
| PDE1A_BOVIN | P14100 | Phosphodiesterase 1A, Bovin | 300 | 0.40 | Binding ≤ 10μM |
| PDE1B_HUMAN | Q01064 | Phosphodiesterase 1B, Human | 300 | 0.40 | Binding ≤ 10μM |
| PDE1B_BOVIN | Q01061 | Phosphodiesterase 1B, Bovin | 300 | 0.40 | Binding ≤ 10μM |
| PDE1C_HUMAN | Q14123 | Phosphodiesterase 1C, Human | 300 | 0.40 | Binding ≤ 10μM |
| PDE5A_HUMAN | O76074 | Phosphodiesterase 5A, Human | 5 | 0.51 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Cam-PDE 1 activation | |
| cGMP effects | |
| G alpha (s) signalling events |
