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

General Information of Drug (ID: DR0840)
Drug Name
Hydroxyzine
Synonyms
Hychotine; Hydroksyzyny; Hydroksyzyny [Polish]; Hydroxine; Hydroxizine; Hydroxizinum; Hydroxycine; Hydroxyzin; Hydroxyzine base; Hydroxyzinum; Hydroxyzinum [INN-Latin]; Hydroxyzyne; Idrossizina; Idrossizina [DCIT]; Neurozina; Nevrolaks; Atarax; Atarax base; Ataraxoid; Atarazoid; Atarox; Atazina; Aterax; Deinait; Durrax; Equipoise; Fenarol; Hidroxizina; Hidroxizina [INN-Spanish]; Orgatrax; Pamazone; Parenteral; Paxistil; Placidol; Plaxidol; Tran-Q; Tranquizine; Traquizine; Vesparaz-Wirkstoff; Vistaril; hydroxyzine; neo-Calma; 68-88-2; Atara
Indication Anxiety disorder [ICD11: 6B00] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 374.9 Topological Polar Surface Area 35.9
Heavy Atom Count 26 Rotatable Bond Count 8
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
3658
PubChem SID
9257 ; 442157 ; 6240382 ; 7979552 ; 8152312 ; 10532787 ; 11466161 ; 11467281 ; 11485881 ; 14853297 ; 29222782 ; 46508556 ; 47434366 ; 47509553 ; 47583264 ; 47879646 ; 48416096 ; 49698864 ; 49846689 ; 49967650 ; 50139270 ; 50826383 ; 57321926 ; 85209633 ; 85787868 ; 85789191 ; 92729849 ; 96024747 ; 103234893 ; 104304148 ; 107881553 ; 118261336 ; 124561307 ; 124883569 ; 124883570 ; 124883571 ; 124883573 ; 124889816 ; 125823731 ; 125948273 ; 126687301 ; 127310111 ; 127310112 ; 127310113 ; 127310114 ; 127310115 ; 129939125 ; 134337636 ; 134357363 ; 134971373
ChEBI ID
ChEBI:5818
CAS Number
68-88-2
TTD Drug ID
D0O6SX
Formula
C21H27ClN2O2
Canonical SMILES
C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2
InChIKey
ZQDWXGKKHFNSQK-UHFFFAOYSA-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
Cetirizine DM004784
2678
Oxidation - Oxidationn 1 [3] , [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005144 Hydroxyzine Cetirizine Oxidation - Oxidationn CYP3A4 ... [3], [4]
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]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[2]
References
1 Hydroxyzine was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Product characteristics of HYDROXYZINE (Hydroxyzine Hydrochloride Capsules).
3 Understanding the pharmacokinetics of anxiolytic drugs
4 The Role of Alcohol Dehydrogenase in Drug Metabolism: Beyond Ethanol Oxidation

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