Details of the Drug

General Information of Drug (ID: DMVO4ED)

Drug Name
Ethoxzolamide
Synonyms
ethoxzolamide; Ethoxyzolamide; Ethoxazolamide; Ethamide; Etoxzolamide; Cardrase; 6-Ethoxy-2-benzothiazolesulfonamide; 452-35-7; Glaucotensil; Diuretic C; 6-Ethoxy-1,3-benzothiazole-2-sulfonamide; Mingoral; 2-Benzothiazolesulfonamide, 6-ethoxy-; Redupresin; 6-Ethoxybenzo[d]thiazole-2-sulfonamide; 6-Ethoxyzolamide; 6-Ethoxybenzothiazole-2-sulfonamide; 6-Ethoxybenzothiazole-2-sulphonamide; U-4191; NSC 10679; UNII-Z52H4811WX; C9H10N2O3S2; HSDB 3268; CHEMBL18; EINECS 207-199-5; BRN 0212240; MLS000028637; AI3-50805; Cardrase; EZL; Cardrase (TN); Ethoxzolamide (EZA); 6-(ethyloxy)-1,3-benzothiazole-2-sulfonamide; 6-Ethoxy-benzothiazole-2-sulfonic acid amide; 6-ethoxy-1,3-benzothiazole-2-sulfonamide
Indication
Disease Entry ICD 11 Status REF
Glaucoma/ocular hypertension 9C61 Approved [1]
Duodenal ulcer DA63 Withdrawn from market [2]
Therapeutic Class
Diuretics
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 258.3
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
ADMET Property
Bioavailability
The bioavailability of drug is 65% []
Half-life
The concentration or amount of drug in body reduced by one-half in 2.5 - 5.5 hours [3]
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 55.3 micromolar/kg/day [4]
Chemical Identifiers
Formula
C9H10N2O3S2
IUPAC Name
6-ethoxy-1,3-benzothiazole-2-sulfonamide
Canonical SMILES
CCOC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)N
InChI
InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
InChIKey
OUZWUKMCLIBBOG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3295
ChEBI ID
CHEBI:101096
CAS Number
452-35-7
DrugBank ID
DB00311
TTD ID
D07INV
INTEDE ID
DR2284
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase I (CA-I) TTHQPL7 CAH1_HUMAN Modulator [5]
Carbonic anhydrase II (CA-II) TTANPDJ CAH2_HUMAN Inhibitor [6]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Glaucoma/ocular hypertension
ICD Disease Classification 9C61
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Carbonic anhydrase I (CA-I) DTT CA1 5.23E-14 -0.11 -0.41
Carbonic anhydrase II (CA-II) DTT CA2 7.95E-08 0.52 0.33
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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: 6814).
2 The development of topically acting carbonic anhydrase inhibitors as antiglaucoma agents. Curr Pharm Des. 2008;14(7):649-54.
3 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4 Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
5 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
6 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.