Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0229)
Drug Name
Brinzolamide
Synonyms
Birnzolamide; Brinzolamide; (4R)-4-(ethylamino)-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide; (R)-4-(Ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno(3,2-e)-1,2-thiazine-6-sulfonamide 1,1-dioxide; (R)-4-(Ethylamino)-3,4-dihydro-2-(3-methoxypropyl)-2H-thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide; 138890-62-7; AL 4862; AL-4862; Azopt; C12H21N3O5S3; CHEBI:3176; MFCD08067749; UNII-9451Z89515
Indication Glaucoma [ICD11: 9C61] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 383.5 Topological Polar Surface Area 164
Heavy Atom Count 23 Rotatable Bond Count 7
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
68844
PubChem SID
9962 ; 7847718 ; 7886394 ; 8192384 ; 11466393 ; 11467513 ; 11486146 ; 11528766 ; 12015162 ; 14780300 ; 14878101 ; 26718765 ; 29214990 ; 43125358 ; 46394376 ; 46507071 ; 46511455 ; 47871124 ; 47871125 ; 48020430 ; 48395296 ; 49699073 ; 56463043 ; 57317102 ; 74925916 ; 85788886 ; 87325228 ; 92125455 ; 92721410 ; 92729740 ; 93166197 ; 103914463 ; 104234232 ; 104343207 ; 109692908 ; 117630731 ; 118048468 ; 121363126 ; 124800916 ; 126627643 ; 126659540 ; 126661718 ; 128041764 ; 134337893 ; 135028809 ; 135916574 ; 137005796 ; 143102638 ; 144204273 ; 152159683
ChEBI ID
ChEBI:3176
CAS Number
138890-62-7
TTD Drug ID
D01MUR
Formula
C12H21N3O5S3
Canonical SMILES
CCNC1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC
InChI
1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
InChIKey
HCRKCZRJWPKOAR-JTQLQIEISA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
O-Desmethyl-brinzolamide DM001472
54444800
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002807 Brinzolamide O-Desmethyl-brinzolamide Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Timolol Maleate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
3 Development and validation of a fast ultra-high-performance liquid chromatography tandem mass spectrometry method for determining carbonic anhydrase inhibitors and their metabolites in urine and hair Drug Test Anal. 2021 Aug;13(8):1552-1560. doi: 10.1002/dta.3055.

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