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

General Information of Drug (ID: DR0536)
Drug Name
Dorzolamide hydrochloride
Synonyms
Dorzolamide (hydrochloride); Dorzolamide HCl; Dorzolomide hydrochloride; Dorzolamid; Dorzolamide; Dorzolamida; Dorzolamide (DZA); Dorzolamide (INN); Dorzolamide [INN:BAN]; Dorzolamidum; SR-05000001449; UNII-9JDX055TW1; (4S,6S)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide; (4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide; (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE; 120279-96-1; 4S,6S-Dorzolamide; 9JDX055TW1; CHEBI:4702; L 671152; L-671,152; MK 0507; MK-0507; MK-507; QZO5366EW7; Trusopt; UNII-QZO5366EW7; (4S,6S)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide hydrochloride; (4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide hydrochloride; 130693-82-2; CHEBI:4703; Cosopt; DORZOLAMIDE HYDROCHLORIDE; DSSTox_CID_25530; DSSTox_GSID_45530; DSSTox_RID_80933
Indication Glaucoma [ICD11: 9C61] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 360.9 Topological Polar Surface Area 151
Heavy Atom Count 20 Rotatable Bond Count 3
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
6918132
ChEBI ID
CHEBI:4703
CAS Number
130693-82-2
TTD Drug ID
D05UYW
Formula
C10H17ClN2O4S3
Canonical SMILES
CCNC1CC(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)C.Cl
InChI
1S/C10H16N2O4S3.ClH/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16;/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16);1H/t6-,8-;/m0./s1
InChIKey
OSRUSFPMRGDLAG-QMGYSKNISA-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
N-desethyldorzolamide DM006203
3074858
Oxidation - N-deethylation 1 [2] , [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006651 Dorzolamide hydrochloride N-desethyldorzolamide Oxidation - N-deethylation CYP2A6 ... [2], [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Calcidiol 1-monooxygenase (CYP27B1) DME0046 Homo sapiens
CP27B_HUMAN
1.14.15.18
[2] , [3]
Cytochrome P450 2A6 (CYP2A6) DME0005 Homo sapiens
CP2A6_HUMAN
1.14.14.1
[2] , [3]
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[4]
Cytochrome P450 2E1 (CYP2E1) DME0013 Homo sapiens
CP2E1_HUMAN
1.14.14.1
[3]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[4]
References
1 Dorzolamide Hydrochloride was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Dorzolamide. A review of its pharmacology and therapeutic potential in the management of glaucoma and ocular hypertension
3 In vitro metabolism of dorzolamide, a novel potent carbonic anhydrase inhibitor, in rat liver microsomes. Drug Metab Dispos. 1994 Nov-Dec;22(6):916-21.
4 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.

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