| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 16 | Yes |
Popular Name: Anagrelide Hydrochloride Anagrelide Hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 58579-51-4 , 58579-51-4; 68475-42-3 , 68475-42-3 , 823178-43-4 , [58579-51-4] , [68475-42-3]
6,7-Dichlor-1,5-dihydroimidazo(2,1-b)chinazolin-2(3H)-on
6,7-Dichloro-1,5-dihydroimidazo(2,1-b)quinazolin-2(3H)-one
6,7-Dichloro-1,5-dihydroimidazo[2,1-b]quinazolin-2(3H)-one
6,7-dichloro-1,5-dihydroimidazo[2,1-]quinazolin-2(3H)-one
6,7-dichloro-1H,2H,3H,5H-imidazolidino[2,1-b]quinazolin-2-one hydrochloride
6,7-dichloro-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-2-one
6,7-Dichloro-5,10-dihydroimidazo[2,1-b]quinazolin-2(3H)-one
6,7-Dichloro-5,10-dihydroimidazo[2,1-b]quinazolin-2(3H)-one hydrochloride
68475-42-3; Anagrelide (INN/BAN); D07455
823178-43-4; Anagrelide hydrochloride hydrate (JAN); Anagrelide hydrochloride monohydrate; D10255
anagrelida; anagrelide; anagrelidum
ANAGRELIDE HCl; CPD000469168; SAM001246604
CPD000469168; SAM001246604; anagrelide hydrochloride
Imidazo(2,1-b)quinazolin-2(3H)-one, 6,7-dichloro-1,5-dihydro-
| 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) | 1.77 | 5.23 | -11.96 | 1 | 4 | 0 | 45 | 256.092 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.79e-01 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Therapy | antithrombotic | SMDC Pharmakon |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP05646a; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| Target | PDE | Selleck Chemicals |
| Indications | primary thrombocythemia | KeyOrganics Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP05646a; SALT: 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| Purity | ¡Ý98.5£¥ | APIChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE3A-1-E | Phosphodiesterase 3A (cluster #1 Of 2), Eukaryotic | Eukaryotes | 82 | 0.62 | Binding ≤ 10μM |
| PDE3B-1-E | Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic | Eukaryotes | 82 | 0.62 | Binding ≤ 10μM |
| P2Y12-1-E | Purinergic Receptor P2Y12 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1050 | 0.52 | Functional ≤ 10μM |
| PDE3A-1-E | Phosphodiesterase 3A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 50 | 0.64 | Functional ≤ 10μM |
| PDE3B-1-E | Phosphodiesterase 3B (cluster #1 Of 1), Eukaryotic | Eukaryotes | 50 | 0.64 | Functional ≤ 10μM |
| Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 2600 | 0.49 | Functional ≤ 10μM |
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 270 | 0.57 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 800 | 0.53 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PDE3A_HUMAN | Q14432 | Phosphodiesterase 3A, Human | 54 | 0.64 | Binding ≤ 1μM |
| PDE3B_HUMAN | Q13370 | Phosphodiesterase 3B, Human | 54 | 0.64 | Binding ≤ 1μM |
| PDE3A_HUMAN | Q14432 | Phosphodiesterase 3A, Human | 1050 | 0.52 | Binding ≤ 10μM |
| PDE3B_HUMAN | Q13370 | Phosphodiesterase 3B, Human | 1050 | 0.52 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 1050 | 0.52 | Functional ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 1050 | 0.52 | Functional ≤ 10μM |
| PDE3A_HUMAN | Q14432 | Phosphodiesterase 3A, Human | 50 | 0.64 | Functional ≤ 10μM |
| PDE3B_HUMAN | Q13370 | Phosphodiesterase 3B, Human | 50 | 0.64 | Functional ≤ 10μM |
| P2Y12_HUMAN | Q9H244 | Purinergic Receptor P2Y12, Human | 1050 | 0.52 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 20 | 0.67 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ADP signalling through P2Y purinoceptor 12 | |
| cGMP effects | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| P2Y receptors | |
| PDE3B signalling |
No pre-computed analogs available. Try a structural similarity search.