| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 14 | Yes |
Popular Name: Diazoxide Diazoxide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 364-98-7 , [364-98-7]
2H-1,2, 4-Benzothiadiazine, 7-chloro-3-methyl-, 1,1-dioxide
2H-1,2,4-Benzothiadiazine, 7-chloro-3-methyl-, 1,1-dioxide
364-98-7; D00294; Diazoxide (JAN/USP/INN); Hyperstat (TN)
364-98-7; Diazoxide; Prestwick_163
7-Chloro-3-methyl-1lambda~4~,2,4-benzothiadiazin-1-ol 1-oxide
7-chloro-3-methyl-2H-1$l^{6},2,4-benzothiadiazine-1,1-dione
7-Chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide
7-Cloro-3-metil-2H-1,2,4-benzotiodiazina-1,1-diossido
7-Cloro-3-metil-2H-1,2,4-benzotiodiazina-1,1-diossido [Italian]
CPD000058392; DIAZOXIDE; SAM001246872
| 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) | 1.84 | 2.16 | -20.72 | 1 | 4 | 0 | 59 | 230.676 | 0 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 1.75 | -35.07 | 0 | 4 | -1 | 61 | 229.668 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.52e-01 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 99% | Fluorochem |
| Therapy | Activator of ATP-dependent K+ channels in both vascular smooth muscle and pancreatic beta-cells; antihypertensive | SMDC Iconix |
| therap | antihypertensive, diuretic, activates K channels and AMPA receptors | MicroSource Spectrum |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sigma Chemical Company; NCC_SUPPLIER_STRUCTURE_ID : D9035 | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sigma Chemical Company; SUPPLIER_STRUCTURE_ID: D9035 | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABCC8-1-E | Sulfonylurea Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8800 | 0.51 | Functional ≤ 10μM |
| IRK11-1-E | Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8800 | 0.51 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 6100 | 0.52 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IRK11_HUMAN | Q14654 | Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11, Human | 8800 | 0.51 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 6100 | 0.52 | Functional ≤ 10μM |
| ABCC8_HUMAN | Q09428 | Sulfonylurea Receptor 1, Human | 8800 | 0.51 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ABC-family proteins mediated transport | |
| ATP sensitive Potassium channels | |
| Regulation of insulin secretion |
