| Compound Information | SONAR Target prediction |
| Name: | CHLORTHALIDONE |
| Unique Identifier: | SPE01500187 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 327.68 g/mol |
| X log p: | 12.883 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 59.59 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 6 |
| Rotatable Bond Count: | 2 |
| Canonical Smiles: | NS(=O)(=O)c1cc(ccc1Cl)C1(O)NC(=O)c2ccccc21 |
| Source: | synthetic |
| Therapeutics: | diuretic, antihypertensive |
| Generic_name: | Chlorthalidone |
| Chemical_iupac_name: | 2-chloro-5-(1-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl)-benzenesulfonamide |
| Drug_type: | Approved Drug |
| Kegg_compound_id: | C06908 |
| Drugbank_id: | APRD00127 |
| Melting_point: | 218-264oC |
| H2o_solubility: | 120 mg/L |
| Logp: | 1.718 |
| Cas_registry_number: | 77-36-1 |
| Drug_category: | Diuretics; Antihypertensive Agents; ATC:C03BA |
| Indication: | For management of hypertension either as the sole therapeutic agent or to enhance the effect of other antihypertensive drugs in the more severe forms of hypertension. |
| Pharmacology: | Chlorthalidone, a monosulfonamyl diuretic, differs form other thiazide diuretics in that a double ring system is incorporated into its structure. Chlorthalidone is used alone or with atenolol in the management of hypertension and edema. |
| Mechanism_of_action: | Chlorthalidone inhibits sodium ion transport across the renal tubular epithelium in the cortical diluting segment of the ascending limb of the loop of Henle. By increasing the delivery of sodium to the distal renal tubule, Chlorthalidone indirectly increases potassium excretion via the sodium-potassium exchange mechanism. |
| Organisms_affected: | Humans and other mammals |
| Found: 205 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [205] |
| Species: | 4932 |
| Condition: | AAT2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7383±0.0059397 |
| Normalized OD Score: sc h | 0.9936±0.00034169 |
| Z-Score: | -0.3425±0.0103464 |
| p-Value: | 0.731962 |
| Z-Factor: | -10.7055 |
| Fitness Defect: | 0.312 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 3 |
| 2732 | 2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide |
| 667689 | 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide |
| 688424 | 2-chloro-5-[(1R)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 2868 | Additional Members: 2 | Rows returned: 0 |
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