| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2005 | 29 | Yes |
Popular Name: Tadalafil Tadalafil
Find On: PubMed — Wikipedia — Google
CAS Numbers: 171596-29-5 , [171596-29-5]
171596-29-5; Adcirca (TN); Cialis (TN); D02008; Tadalafil (JAN/USAN/INN)
Cialis, GF 196960, IC 351, ICOS 351, Tadalafil
| 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) | 2.36 | 6.81 | -13.33 | 1 | 7 | 0 | 75 | 389.411 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.50e-01 g/l | DrugBank-approved |
| Therapy | erectile dysfunction therapy | SMDC Pharmakon |
| Indications | erectile dysfunction, pulmonary artery hypertension | KeyOrganics Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP000800t | NIH Clinical Collection via PubChem |
| Target | PDE | Selleck Chemicals |
| UniProt Database Links | PDE11_HUMAN | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP000800t | 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 | 980 | 0.29 | Binding ≤ 10μM |
| CNRG-1-E | Phosphodiesterase 6G (cluster #1 Of 1), Eukaryotic | Eukaryotes | 980 | 0.29 | Binding ≤ 10μM |
| PDE11-1-E | Phosphodiesterase 11A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 50 | 0.35 | Binding ≤ 10μM |
| PDE5A-1-E | Phosphodiesterase 5A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5 | 0.40 | Binding ≤ 10μM |
| PDE6A-1-E | Rod CGMP-specific 3',5'-cyclic Phosphodiesterase Subunit Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 980 | 0.29 | Binding ≤ 10μM |
| PDE6B-1-E | Phosphodiesterase 6B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 980 | 0.29 | Binding ≤ 10μM |
| PDE6C-1-E | Phosphodiesterase 6C (cluster #1 Of 1), Eukaryotic | Eukaryotes | 980 | 0.29 | Binding ≤ 10μM |
| PDE6D-1-E | Phosphodiesterase 6D (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5100 | 0.26 | Binding ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 500 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE11_HUMAN | Q9HCR9 | Phosphodiesterase 11A, Human | 290 | 0.32 | Binding ≤ 1μM |
| PDE5A_HUMAN | O76074 | Phosphodiesterase 5A, Human | 1.3 | 0.43 | Binding ≤ 1μM |
| PDE5A_RAT | O54735 | Phosphodiesterase 5A, Rat | 5 | 0.40 | Binding ≤ 1μM |
| PDE5A_BOVIN | Q28156 | Phosphodiesterase 5A, Bovin | 12 | 0.38 | Binding ≤ 1μM |
| PDE6A_HUMAN | P16499 | Phosphodiesterase 6A, Human | 980 | 0.29 | Binding ≤ 1μM |
| PDE6B_HUMAN | P35913 | Phosphodiesterase 6B, Human | 980 | 0.29 | Binding ≤ 1μM |
| PDE6C_HUMAN | P51160 | Phosphodiesterase 6C, Human | 980 | 0.29 | Binding ≤ 1μM |
| PDE6D_HUMAN | O43924 | Phosphodiesterase 6D, Human | 980 | 0.29 | Binding ≤ 1μM |
| CNRG_HUMAN | P18545 | Phosphodiesterase 6G, Human | 980 | 0.29 | Binding ≤ 1μM |
| CNCG_HUMAN | Q13956 | Phosphodiesterase 6H, Human | 980 | 0.29 | Binding ≤ 1μM |
| PDE11_HUMAN | Q9HCR9 | Phosphodiesterase 11A, Human | 290 | 0.32 | Binding ≤ 10μM |
| PDE5A_BOVIN | Q28156 | Phosphodiesterase 5A, Bovin | 12 | 0.38 | Binding ≤ 10μM |
| PDE5A_HUMAN | O76074 | Phosphodiesterase 5A, Human | 1.3 | 0.43 | Binding ≤ 10μM |
| PDE5A_RAT | O54735 | Phosphodiesterase 5A, Rat | 5 | 0.40 | Binding ≤ 10μM |
| PDE6A_HUMAN | P16499 | Phosphodiesterase 6A, Human | 1260 | 0.28 | Binding ≤ 10μM |
| PDE6A_BOVIN | P11541 | Phosphodiesterase 6A, Bovin | 3000 | 0.27 | Binding ≤ 10μM |
| PDE6B_HUMAN | P35913 | Phosphodiesterase 6B, Human | 1260 | 0.28 | Binding ≤ 10μM |
| PDE6B_BOVIN | P23439 | Phosphodiesterase 6B, Bovin | 5100 | 0.26 | Binding ≤ 10μM |
| PDE6C_BOVIN | P16586 | Phosphodiesterase 6C, Bovin | 5100 | 0.26 | Binding ≤ 10μM |
| PDE6C_HUMAN | P51160 | Phosphodiesterase 6C, Human | 1260 | 0.28 | Binding ≤ 10μM |
| PDE6D_BOVIN | Q95142 | Phosphodiesterase 6D, Bovin | 5100 | 0.26 | Binding ≤ 10μM |
| PDE6D_HUMAN | O43924 | Phosphodiesterase 6D, Human | 1260 | 0.28 | Binding ≤ 10μM |
| CNRG_HUMAN | P18545 | Phosphodiesterase 6G, Human | 1260 | 0.28 | Binding ≤ 10μM |
| CNRG_BOVIN | P04972 | Phosphodiesterase 6G, Bovin | 5100 | 0.26 | Binding ≤ 10μM |
| CNCG_BOVIN | P22571 | Phosphodiesterase 6H, Bovin | 5100 | 0.26 | Binding ≤ 10μM |
| CNCG_HUMAN | Q13956 | Phosphodiesterase 6H, Human | 1260 | 0.28 | Binding ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 150 | 0.33 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of the phototransduction cascade | |
| Ca2+ pathway | |
| cGMP effects | |
| G alpha (s) signalling events | |
| Inactivation, recovery and regulation of the phototransduction cascade |
