General Information of Drug (ID: DMWCOSR)

Drug Name
Quinethazone
Synonyms
Aquamox; Chinetazone; Chinethazone; Chinethazonum; Hydromox; Idrokin; Quinetazona; Quinethazon; Quinethazonum; Chinetazone[DCIT]; CL 36010; Hydromox (TN); Quinetazona [INN-Spanish]; Quinethazone (aquamox); Quinethazonum [INN-Latin]; Quinethazone (JAN/INN); Quinethazone [INN:BAN:JAN]; 2-Ethyl-7-chloro-1,2,3,4-tetrahydro-4-oxochinazolin-6-sulfonamid; 7-Chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo-6-quinazolinesulfonamide; 7-Chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo-6-sulfamoylquinazoline; 7-Chloro-2-ethyl-6-sulfamoyl-1,2,3,4-tetrahydro-4-quinazolinone; 7-chloro-2-ethyl-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide; 7-chloro-2-ethyl-4-oxo-2,3-dihydro-1H-quinazoline-6-sulfonamide
Indication
Disease Entry ICD 11 Status REF
Hypertension BA00-BA04 Approved [1]
Therapeutic Class
Antihypertensive Agents
Affected Organisms
Humans and other mammals
ATC Code
C03BA02: Quinethazone
C03BA: Sulfonamides, plain
C03B: LOW-CEILING DIURETICS, EXCL. THIAZIDES
C03: DIURETICS
C: CARDIOVASCULAR SYSTEM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 289.74
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C10H12ClN3O3S
IUPAC Name
7-chloro-2-ethyl-4-oxo-2,3-dihydro-1H-quinazoline-6-sulfonamide
Canonical SMILES
CCC1NC2=CC(=C(C=C2C(=O)N1)S(=O)(=O)N)Cl
InChI
InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)
InChIKey
AGMMTXLNIQSRCG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6307
ChEBI ID
CHEBI:8717
CAS Number
73-49-4
UNII
455E0S048W
DrugBank ID
DB01325
TTD ID
D0J8ZA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase (CA) TTUNARX NOUNIPROTAC Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7289).
2 Carbonic anhydrase inhibitors. Interaction of indapamide and related diuretics with 12 mammalian isozymes and X-ray crystallographic studies for th... Bioorg Med Chem Lett. 2008 Apr 15;18(8):2567-73.