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

General Information of Drug (ID: DR0633)
Drug Name
Estazolam
Synonyms
Estazolamum; Esilgan; Estazolam [USAN:INN:JAN]; CDCHDCWJMGXXRH-UHFFFAOYSA-N; Estazolamum [INN-Latin]; Eurodin; Julodin; Nemurel; Nuctalon; Cannoc; D-40TA; ProSom; Somnatrol; U 33737; estazolam; 29975-16-4; 36S3EQV54C; 8-Chloro-6-phenyl-4H-(1,2,4)triazolo-(4,3-a)(1,4)benzodiazepine; 8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine; 8-Chloro-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine; Abbott 47631; Abbott-47631; BRN 1220868; CCRIS 1955; CHEBI:4858; D 40TA; DEA No. 2756; EINECS 249-982-4; NSC 290818; UNII-36S3EQV54C
Indication Insomnia [ICD11: 7A00] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 294.74 Topological Polar Surface Area 43.1
Heavy Atom Count 21 Rotatable Bond Count 1
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
3261
PubChem SID
9195 ; 145301 ; 5199055 ; 7847377 ; 7979189 ; 8152069 ; 10517653 ; 11528596 ; 15419098 ; 24894524 ; 29222400 ; 46507430 ; 48413727 ; 48415955 ; 50113063 ; 50257507 ; 53788680 ; 57321687 ; 58106946 ; 81041129 ; 87688132 ; 93166639 ; 99313646 ; 103209579 ; 104302993 ; 109611576 ; 125347364 ; 126665806 ; 127607634 ; 131309454 ; 134338206 ; 134997768 ; 136949636 ; 137005120 ; 137440701 ; 137783733 ; 144206162 ; 160964548 ; 164814347 ; 164841049 ; 170507541 ; 175265512 ; 179116671 ; 198993228 ; 221672875 ; 223365886 ; 223667151 ; 224783997 ; 226416014 ; 241050443
ChEBI ID
CHEBI:4858
CAS Number
29975-16-4
TTD Drug ID
D0P2CK
Formula
C16H11ClN4
Canonical SMILES
C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4
InChI
1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2
InChIKey
CDCHDCWJMGXXRH-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
1-0x0-estazolam DM015406
3082325
Unclear - Unclear 1 [3]
4'-hydroxy-estazolam DM016646
135564706
Unclear - Unclear 1 [4]
4-hydroxy-estazolam DM015778
11666741
Unclear - Unclear 1 [2]
The benzophenone DM015800
12246022
Unclear - Unclear 2 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009958 Estazolam 4-hydroxy-estazolam Unclear - Unclear CYP3A4 [2]
MR009960 Estazolam 1-0x0-estazolam Unclear - Unclear Unclear [3]
MR009961 Estazolam 4'-hydroxy-estazolam Unclear - Unclear Unclear [4]
MR009959 4-hydroxy-estazolam The benzophenone Unclear - Unclear Unclear [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]
References
1 Estazolam was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Identification of human cytochrome P450 enzymes involved in the formation of 4-hydroxyestazolam from estazolam. Xenobiotica. 2005 May;35(5):455-65.
3 Kinetic and pharmacological studies on estazolam in mice and man
4 Metabolism of 14C-estazolam in dogs and humans

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