| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2004 | 36 | Yes |
Popular Name: Dipyridamole Dipyridamole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 117591-81-8 , 50-53-3 , 58-32-2 , [117591-81-8] , [58-32-2]
2,2',2'',2'''-((4,8-Di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diyl)bis(azanetriyl))tetraethano
2,2',2'',2'''-{[4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diyl]dinitrilo}tetraethanol
2,6-Bis(diethanolamine)-4,8-dipiperidinopyrimido[5,4-d]pyrimidine
2,6-Bis(diethanolamino)-4,8-dipiperidinopyrimido(5,4-d)pyrimidine
2,6-Bis(diethanolamino)-4,8-dipiperidinopyrimido[5,4-d]pyrimidine
2-[[2-(bis(2-hydroxyethyl)amino)-4,8-di(piperidin-1-yl)pyrimido[6,5-e]pyrimidin-
4-26-00-03840 (Beilstein Handbook Reference)
58-32-2; D00302; Dipyridamole (JP16/USP/INN); Persantine (TN)
58-32-2; Dipyridamole; Prestwick_145
AGGRENOX; ASPIRIN; DIPYRIDAMOLE; C24H40N8O4.C9H8O4; LS-178622
Ashbourne Brand of Dipyridamole
Berlin Chemie Brand of Dipyridamole
Berlin-Chemie Brand of Dipyridamole
Boehringer Ingelheim Brand of Dipyridamole
Cardoxin; Cleridium 150; Curantyl; Persantin; dipiridamol
CPD000058382; DIPYRIDAMOLE; SAM002264609
DIPIPERIDINYLPYRIMIDOPYRIMIDINEDIYLBISAZANETRIYLTETRAETHA
DIPIPERIDINYLPYRIMIDOPYRIMIDINEDIYLBISAZANETRIYLTETRAETHANO
Dipiridamol;Dipyridamine;Dipyridamol;Dipyudamine;Dypyridamol;Usaf Ge-12
Dipyridamine; Dipyudamine; Dypyridamol
Dipyridamol;Dipyridamine;Dypyridamol;Dipyudamine;Usaf Ge-12;Dipiridamol
Dipyridamole [USAN:INN:BAN:JAN]
Novopharm Brand of Dipyridamole
Permole, Persantine, Dipyridan, Dipyridamole
Pyrimido(5,4-d)pyrimidine, 2,6-bis(bis(2-hydroxyethyl)amino)-4,8-dipiperidino-
Pyrimido(5,4-d)pyrimidine, 2,6-bis[bis(2-hydroxyethyl)amino]-4,8-diperidino-
Thymidine, 3'-azido-5-bromo-3'-deoxy-5,6-dihydro-6-methoxy-
WLN: T66 BN DN GN INJ CCN HCN E- AT6NTJ B2Q F2Q& J- AT6NTJ B2Q F2Q
| 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) | 1.59 | 5.47 | -11.01 | 4 | 12 | 0 | 145 | 504.636 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 0.856 | Bitter DB |
| MP | 165 - 166 | Enamine Building Blocks |
| MP | 165-166° | Oakwood Chemical |
| MP | 165...166 | Enamine Building Blocks |
| MP | 168 | TCI |
| ALOGPS_SOLUBILITY | 9.22e-01 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| mechanism | Adenosine uptake inhibitor causing indirect adenosine receptor activation | IBScreen Bioactives |
| Purity | BP98; USP24 | APIChem |
| biological_use | Coronary vasodilator | IBScreen Bioactives ZereneX Building Blocks |
| Therapy | Coronary vasodilator; adenosine transport inhibitor | SMDC Iconix |
| biological_use | Enhances effects of anticoagulants | IBScreen Bioactives |
| Patent Database Links | EP1438962; EP1454902; EP1541175; EP1553091; EP1634607; EP1676573; EP1679067; EP1686113; EP1733729; EP1743639; EP1785144; EP1808173; EP1810693; EP1820506; EP1894561; EP1894567; EP1939188; EP1974739; EP1977766; EP1992346; GB2105988; US2004122064; US20050192 | ChEBI |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : D-9902 | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| Target | PDE | Selleck Chemicals |
| UniProt Database Links | PDE10_HUMAN; PDE10_RAT; PDE11_HUMAN; PDE11_MOUSE; PDE11_RAT; PDE11_TAKRU; PDE5A_BOVIN; PDE7B_HUMAN; PDE7B_MOUSE; PRUNE_BOVIN; PRUNE_HUMAN; PRUNE_MOUSE; PRUNE_RAT; S29A1_HUMAN; S29A1_MOUSE; S29A1_RAT; S29A2_HUMAN; S29A2_RAT; S29A4_HUMAN; S29A4_MOUSE | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: D-9902 | NIH Clinical Collection via PubChem |
| mechanism | Vasodilator | IBScreen Bioactives ZereneX Building Blocks |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNCG-1-E | Phosphodiesterase 6H (cluster #1 Of 1), Eukaryotic | Eukaryotes | 125 | 0.27 | Binding ≤ 10μM |
| CNRG-1-E | Phosphodiesterase 6G (cluster #1 Of 1), Eukaryotic | Eukaryotes | 125 | 0.27 | Binding ≤ 10μM |
| O77823-1-E | Phosphodiesterase 4A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6400 | 0.20 | Binding ≤ 10μM |
| PDE10-1-E | Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1000 | 0.23 | Binding ≤ 10μM |
| PDE11-1-E | Phosphodiesterase 11A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 400 | 0.25 | Binding ≤ 10μM |
| PDE2A-1-E | Phosphodiesterase 2A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4000 | 0.21 | Binding ≤ 10μM |
| PDE4A-3-E | Phosphodiesterase 4A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 500 | 0.25 | Binding ≤ 10μM |
| PDE4B-2-E | Phosphodiesterase 4B (cluster #2 Of 2), Eukaryotic | Eukaryotes | 500 | 0.25 | Binding ≤ 10μM |
| PDE4C-2-E | Phosphodiesterase 4C (cluster #2 Of 2), Eukaryotic | Eukaryotes | 500 | 0.25 | Binding ≤ 10μM |
| PDE4D-2-E | Phosphodiesterase 4D (cluster #2 Of 2), Eukaryotic | Eukaryotes | 500 | 0.25 | Binding ≤ 10μM |
| PDE6A-1-E | Rod CGMP-specific 3',5'-cyclic Phosphodiesterase Subunit Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 125 | 0.27 | Binding ≤ 10μM |
| PDE6B-1-E | Phosphodiesterase 6B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 125 | 0.27 | Binding ≤ 10μM |
| PDE6C-1-E | Phosphodiesterase 6C (cluster #1 Of 1), Eukaryotic | Eukaryotes | 125 | 0.27 | Binding ≤ 10μM |
| PDE6D-1-E | Phosphodiesterase 6D (cluster #1 Of 1), Eukaryotic | Eukaryotes | 125 | 0.27 | Binding ≤ 10μM |
| PDE7A-1-E | Phosphodiesterase 7A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 600 | 0.24 | Binding ≤ 10μM |
| PDE7B-1-E | Phosphodiesterase 7B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 600 | 0.24 | Binding ≤ 10μM |
| PDE8A-1-E | Phosphodiesterase 8A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9000 | 0.20 | Binding ≤ 10μM |
| PDE8B-1-E | Phosphodiesterase 8B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9000 | 0.20 | Binding ≤ 10μM |
| Q864F1-1-E | Phosphodiesterase 5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 574 | 0.24 | Binding ≤ 10μM |
| S29A1-1-E | Equilibrative Nucleoside Transporter 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.31 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 3162 | 0.21 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 340 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S29A1_HUMAN | Q99808 | Equilibrative Nucleoside Transporter 1, Human | 144.8 | 0.27 | Binding ≤ 1μM |
| PDE10_HUMAN | Q9Y233 | Phosphodiesterase 10A, Human | 1000 | 0.23 | Binding ≤ 1μM |
| PDE11_HUMAN | Q9HCR9 | Phosphodiesterase 11A, Human | 400 | 0.25 | Binding ≤ 1μM |
| PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 500 | 0.25 | Binding ≤ 1μM |
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 500 | 0.25 | Binding ≤ 1μM |
| PDE4C_HUMAN | Q08493 | Phosphodiesterase 4C, Human | 500 | 0.25 | Binding ≤ 1μM |
| PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 500 | 0.25 | Binding ≤ 1μM |
| Q864F1_PIG | Q864F1 | Phosphodiesterase 5, Pig | 520 | 0.24 | Binding ≤ 1μM |
| PDE6A_HUMAN | P16499 | Phosphodiesterase 6A, Human | 125 | 0.27 | Binding ≤ 1μM |
| PDE6B_HUMAN | P35913 | Phosphodiesterase 6B, Human | 125 | 0.27 | Binding ≤ 1μM |
| PDE6C_HUMAN | P51160 | Phosphodiesterase 6C, Human | 125 | 0.27 | Binding ≤ 1μM |
| PDE6D_HUMAN | O43924 | Phosphodiesterase 6D, Human | 125 | 0.27 | Binding ≤ 1μM |
| CNRG_HUMAN | P18545 | Phosphodiesterase 6G, Human | 125 | 0.27 | Binding ≤ 1μM |
| CNCG_HUMAN | Q13956 | Phosphodiesterase 6H, Human | 125 | 0.27 | Binding ≤ 1μM |
| PDE7A_HUMAN | Q13946 | Phosphodiesterase 7A, Human | 600 | 0.24 | Binding ≤ 1μM |
| PDE7B_HUMAN | Q9NP56 | Phosphodiesterase 7B, Human | 600 | 0.24 | Binding ≤ 1μM |
| S29A1_HUMAN | Q99808 | Equilibrative Nucleoside Transporter 1, Human | 144.8 | 0.27 | Binding ≤ 10μM |
| PDE10_HUMAN | Q9Y233 | Phosphodiesterase 10A, Human | 1000 | 0.23 | Binding ≤ 10μM |
| PDE11_HUMAN | Q9HCR9 | Phosphodiesterase 11A, Human | 400 | 0.25 | Binding ≤ 10μM |
| PDE2A_HUMAN | O00408 | Phosphodiesterase 2A, Human | 3240 | 0.21 | Binding ≤ 10μM |
| PDE4A_HUMAN | P27815 | Phosphodiesterase 4A, Human | 500 | 0.25 | Binding ≤ 10μM |
| O77823_PIG | O77823 | Phosphodiesterase 4A, Pig | 5270 | 0.21 | Binding ≤ 10μM |
| PDE4B_HUMAN | Q07343 | Phosphodiesterase 4B, Human | 500 | 0.25 | Binding ≤ 10μM |
| PDE4C_HUMAN | Q08493 | Phosphodiesterase 4C, Human | 500 | 0.25 | Binding ≤ 10μM |
| PDE4D_HUMAN | Q08499 | Phosphodiesterase 4D, Human | 500 | 0.25 | Binding ≤ 10μM |
| Q864F1_PIG | Q864F1 | Phosphodiesterase 5, Pig | 520 | 0.24 | Binding ≤ 10μM |
| PDE6A_HUMAN | P16499 | Phosphodiesterase 6A, Human | 125 | 0.27 | Binding ≤ 10μM |
| PDE6B_HUMAN | P35913 | Phosphodiesterase 6B, Human | 125 | 0.27 | Binding ≤ 10μM |
| PDE6C_HUMAN | P51160 | Phosphodiesterase 6C, Human | 125 | 0.27 | Binding ≤ 10μM |
| PDE6D_HUMAN | O43924 | Phosphodiesterase 6D, Human | 125 | 0.27 | Binding ≤ 10μM |
| CNRG_HUMAN | P18545 | Phosphodiesterase 6G, Human | 125 | 0.27 | Binding ≤ 10μM |
| CNCG_HUMAN | Q13956 | Phosphodiesterase 6H, Human | 125 | 0.27 | Binding ≤ 10μM |
| PDE7A_HUMAN | Q13946 | Phosphodiesterase 7A, Human | 600 | 0.24 | Binding ≤ 10μM |
| PDE7B_HUMAN | Q9NP56 | Phosphodiesterase 7B, Human | 600 | 0.24 | Binding ≤ 10μM |
| PDE8A_HUMAN | O60658 | Phosphodiesterase 8A, Human | 9000 | 0.20 | Binding ≤ 10μM |
| PDE8B_HUMAN | O95263 | Phosphodiesterase 8B, Human | 9000 | 0.20 | Binding ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 340 | 0.25 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 2511.88643 | 0.22 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of the phototransduction cascade | |
| Ca2+ pathway | |
| cGMP effects | |
| DARPP-32 events | |
| G alpha (s) signalling events | |
| Inactivation, recovery and regulation of the phototransduction cascade | |
| Transport of nucleosides and free purine and pyrimidine bases across the plasma |
