| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2008 | 34 | Yes |
Popular Name: Vardenafil Vardenafil
Find On: PubMed — Wikipedia — Google
CAS Numbers: 224785-90-4 , 224785-91-5 , 224789-15-5 , 330808-88-3 , [330808-88-3]
CPD000469155; SAM001246573; VARDENAFIL CITRATE
CPD000469155; SAM001246573; VARDENAFIL CITRATE; vardenafil
CPD000469155; VARDENAFIL CITRATE
D03260; Levitra (TN); Vardenafil hydrochloride hydrate (JAN)
D09989; Vardenafil hydrochloride (USAN)
INN); Vardenafil HCl (FDA); Vardenafil Dihydrochloride (USAN)
INN); Vardenafil Hydrochloride (FDA); Vardenafil Dihydrochloride (USAN)
Vardenafil hydrochloride hydrate
Vardenafil hydrochloride trihydrate
Vardenafil Hydrochloride Trihydrate (Vivanza
| 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) | 2.56 | 6.46 | -15.5 | 1 | 10 | 0 | 113 | 488.614 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.01 | 4.67 | -56.65 | 0 | 10 | -1 | 116 | 487.606 | 8 | ↓ |
| Mid Mid (pH 6-8) | 2.56 | 8.68 | -54.65 | 2 | 10 | 1 | 114 | 489.622 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.25e-01 g/l | DrugBank-approved |
| Purity | 95% | Fluorochem |
| Indications | erectile dysfunction | KeyOrganics Bioactives |
| Therapy | erectile dysfunction, PD5 inhibitor | SMDC Pharmakon |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01005v; 1 citric acid | NIH Clinical Collection via PubChem |
| Target | PDE | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01005v; SALT: 1 citric acid | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNCG-1-E | Phosphodiesterase 6H (cluster #1 Of 1), Eukaryotic | Eukaryotes | 11 | 0.33 | Binding ≤ 10μM |
| CNRG-1-E | Phosphodiesterase 6G (cluster #1 Of 1), Eukaryotic | Eukaryotes | 11 | 0.33 | Binding ≤ 10μM |
| PDE10-1-E | Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 790 | 0.25 | Binding ≤ 10μM |
| PDE11-1-E | Phosphodiesterase 11A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 130 | 0.28 | Binding ≤ 10μM |
| PDE1A-1-E | Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 230 | 0.27 | Binding ≤ 10μM |
| PDE1B-1-E | Phosphodiesterase 1B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 230 | 0.27 | Binding ≤ 10μM |
| PDE1C-1-E | Phosphodiesterase 1C (cluster #1 Of 1), Eukaryotic | Eukaryotes | 230 | 0.27 | Binding ≤ 10μM |
| PDE3A-1-E | Phosphodiesterase 3A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2100 | 0.23 | Binding ≤ 10μM |
| PDE3B-1-E | Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2100 | 0.23 | Binding ≤ 10μM |
| PDE4A-3-E | Phosphodiesterase 4A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 4500 | 0.22 | Binding ≤ 10μM |
| PDE4B-1-E | Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4500 | 0.22 | Binding ≤ 10μM |
| PDE4C-1-E | Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4500 | 0.22 | Binding ≤ 10μM |
| PDE4D-1-E | Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4500 | 0.22 | Binding ≤ 10μM |
| PDE5A-1-E | Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1 | 0.37 | Binding ≤ 10μM |
| PDE6A-1-E | Rod CGMP-specific 3',5'-cyclic Phosphodiesterase Subunit Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 11 | 0.33 | Binding ≤ 10μM |
| PDE6B-1-E | Phosphodiesterase 6B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 11 | 0.33 | Binding ≤ 10μM |
| PDE6C-1-E | Phosphodiesterase 6C (cluster #1 Of 1), Eukaryotic | Eukaryotes | 11 | 0.33 | Binding ≤ 10μM |
| PDE6D-1-E | Phosphodiesterase 6D (cluster #1 Of 1), Eukaryotic | Eukaryotes | 11 | 0.33 | Binding ≤ 10μM |
| PDE9A-1-E | Phosphodiesterase 9A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 460 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE10_HUMAN | Q9Y233 | Phosphodiesterase 10A, Human | 790 | 0.25 | Binding ≤ 1μM |
| PDE11_HUMAN | Q9HCR9 | Phosphodiesterase 11A, Human | 130 | 0.28 | Binding ≤ 1μM |
| PDE1A_BOVIN | P14100 | Phosphodiesterase 1A, Bovin | 180 | 0.28 | Binding ≤ 1μM |
| PDE1A_HUMAN | P54750 | Phosphodiesterase 1A, Human | 230 | 0.27 | Binding ≤ 1μM |
| PDE1B_HUMAN | Q01064 | Phosphodiesterase 1B, Human | 230 | 0.27 | Binding ≤ 1μM |
| PDE1B_BOVIN | Q01061 | Phosphodiesterase 1B, Bovin | 180 | 0.28 | Binding ≤ 1μM |
| PDE1C_HUMAN | Q14123 | Phosphodiesterase 1C, Human | 230 | 0.27 | Binding ≤ 1μM |
| PDE5A_HUMAN | O76074 | Phosphodiesterase 5A, Human | 0.7 | 0.38 | Binding ≤ 1μM |
| PDE6A_HUMAN | P16499 | Phosphodiesterase 6A, Human | 1 | 0.37 | Binding ≤ 1μM |
| PDE6B_HUMAN | P35913 | Phosphodiesterase 6B, Human | 1 | 0.37 | Binding ≤ 1μM |
| PDE6C_HUMAN | P51160 | Phosphodiesterase 6C, Human | 1 | 0.37 | Binding ≤ 1μM |
| PDE6D_HUMAN | O43924 | Phosphodiesterase 6D, Human | 1 | 0.37 | Binding ≤ 1μM |
| CNRG_HUMAN | P18545 | Phosphodiesterase 6G, Human | 1 | 0.37 | Binding ≤ 1μM |
| CNCG_HUMAN | Q13956 | Phosphodiesterase 6H, Human | 1 | 0.37 | Binding ≤ 1μM |
| PDE9A_HUMAN | O76083 | Phosphodiesterase 9A, Human | 460 | 0.26 | Binding ≤ 1μM |
| PDE10_HUMAN | Q9Y233 | Phosphodiesterase 10A, Human | 790 | 0.25 | Binding ≤ 10μM |
| PDE11_HUMAN | Q9HCR9 | Phosphodiesterase 11A, Human | 130 | 0.28 | Binding ≤ 10μM |
| PDE1A_HUMAN | P54750 | Phosphodiesterase 1A, Human | 230 | 0.27 | Binding ≤ 10μM |
| PDE1A_BOVIN | P14100 | Phosphodiesterase 1A, Bovin | 180 | 0.28 | Binding ≤ 10μM |
| PDE1B_HUMAN | Q01064 | Phosphodiesterase 1B, Human | 230 | 0.27 | Binding ≤ 10μM |
| PDE1B_BOVIN | Q01061 | Phosphodiesterase 1B, Bovin | 180 | 0.28 | Binding ≤ 10μM |
| PDE1C_HUMAN | Q14123 | Phosphodiesterase 1C, Human | 230 | 0.27 | Binding ≤ 10μM |
| PDE3A_HUMAN | Q14432 | Phosphodiesterase 3A, Human | 2100 | 0.23 | Binding ≤ 10μM |
| PDE3B_HUMAN | Q13370 | Phosphodiesterase 3B, Human | 2100 | 0.23 | Binding ≤ 10μM |
| PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 4500 | 0.22 | Binding ≤ 10μM |
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 4500 | 0.22 | Binding ≤ 10μM |
| PDE4C_HUMAN | Q08493 | Phosphodiesterase 4C, Human | 4500 | 0.22 | Binding ≤ 10μM |
| PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 4500 | 0.22 | Binding ≤ 10μM |
| PDE5A_HUMAN | O76074 | Phosphodiesterase 5A, Human | 0.7 | 0.38 | Binding ≤ 10μM |
| PDE6A_HUMAN | P16499 | Phosphodiesterase 6A, Human | 1 | 0.37 | Binding ≤ 10μM |
| PDE6B_HUMAN | P35913 | Phosphodiesterase 6B, Human | 1 | 0.37 | Binding ≤ 10μM |
| PDE6C_HUMAN | P51160 | Phosphodiesterase 6C, Human | 1 | 0.37 | Binding ≤ 10μM |
| PDE6D_HUMAN | O43924 | Phosphodiesterase 6D, Human | 1 | 0.37 | Binding ≤ 10μM |
| CNRG_HUMAN | P18545 | Phosphodiesterase 6G, Human | 1 | 0.37 | Binding ≤ 10μM |
| CNCG_HUMAN | Q13956 | Phosphodiesterase 6H, Human | 1 | 0.37 | Binding ≤ 10μM |
| PDE9A_HUMAN | O76083 | Phosphodiesterase 9A, Human | 460 | 0.26 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of the phototransduction cascade | |
| Ca2+ pathway | |
| Cam-PDE 1 activation | |
| cGMP effects | |
| DARPP-32 events | |
| G alpha (s) signalling events | |
| Inactivation, recovery and regulation of the phototransduction cascade | |
| PDE3B signalling |
