Details of the Drug

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

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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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
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)

MIA Detail

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.