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

General Information of Drug (ID: DR4410)
Drug Name
CXL
Synonyms
CYCLOHEXANOL; 108-93-0; Cyclohexyl alcohol; Hexahydrophenol; Hydrophenol; Hydroxycyclohexane; Hexalin; 1-Cyclohexanol; Hydralin; Adronal; Naxol; Adronol; Anol; Cykloheksanol; Cicloesanolo; Phenol, hexahydro-; Cicloesanolo [Italian]; Cykloheksanol [Polish]; Cyclohexanone cyclohexanol mixture; Cyclohexan-1-ol; HSDB 61; NSC 403656; UNII-8E7S519M3P; CCRIS 5896; EINECS 203-630-6; BRN 0906744; AI3-00040; CHEBI:18099; HPXRVTGHNJAIIH-UHFFFAOYSA-N; 8E7S519M3P; MFCD00003855; Cyclohexanol, 98%; CXL; Cyclohexanols; DSSTox_CID_1894; DSSTox_RID_76390
Indication Methicillin-resistant staphylococci infection [ICD11: 1A00-1A09] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 100.16 Topological Polar Surface Area 20.2
Heavy Atom Count 7 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
7966
ChEBI ID
CHEBI:18099
CAS Number
108-93-0
TTD Drug ID
D08DGW
Formula
C6H12O
Canonical SMILES
C1CCC(CC1)O
InChI
InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
InChIKey
HPXRVTGHNJAIIH-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
Cyclohexanone DM014914
7967
Unclear - Unclear 1 [2]
1-Oxa-2-oxocycloheptane DM014937
10401
Unclear - Unclear 2 [2]
2-cyclohexenone DM014955
13594
Unclear - Unclear 2 [3]
3-hydroxycyctohexanone DM015283
439950
Unclear - Unclear 3 [3]
6-Hydroxyhexanoate DM014961
14490
Unclear - Unclear 3 [2]
Phenol DM014836
996
Unclear - Unclear 3 [3]
1,3-cyclohexanedione DM014938
10434
Unclear - Unclear 4 [3]
6-Oxohexanoate DM015456
5460210
Unclear - Unclear 4 [2]
5-oxohexanoic acid DM006523
18407
Unclear - Unclear 5 [3]
Adipate DM015255
200164
Unclear - Unclear 5 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008329 CXL Cyclohexanone Unclear - Unclear chnA [2]
MR008330 Cyclohexanone 1-Oxa-2-oxocycloheptane Unclear - Unclear chnB [2]
MR008334 Cyclohexanone 2-cyclohexenone Unclear - Unclear chnA [3]
MR008331 1-Oxa-2-oxocycloheptane 6-Hydroxyhexanoate Unclear - Unclear ollt12 [2]
MR008335 2-cyclohexenone 3-hydroxycyctohexanone Unclear - Unclear chh2 [3]
MR008338 2-cyclohexenone Phenol Unclear - Unclear Unclear [3]
MR008336 3-hydroxycyctohexanone 1,3-cyclohexanedione Unclear - Unclear hcd3 [3]
MR008332 6-Hydroxyhexanoate 6-Oxohexanoate Unclear - Unclear chnD [2]
MR008337 1,3-cyclohexanedione 5- oxocaproic acid Unclear - Unclear chh13 [3]
MR008333 6-Oxohexanoate Adipate Unclear - Unclear chnE [2]
⏷ Show the Full List of 10 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
1-oxa-2-oxocycloheptane lactonase (ollt12) DMEN757 Acinetobacter sp. Not Available Not Available [2]
2-cyclohexenone hydratase (chh2) DMEN760 . Not Available Not Available [3]
3-hydroxycyclohexanone dehydrogenase (hcd3) DMEN761 . Not Available Not Available [3]
Alcohol dehydrogenase (chnD) DMEN758 Acinetobacter sp. Not Available Not Available [4]
Aldehyde dehydrogenase (chnE) DMEN759 Acinetobacter sp. Not Available Not Available [4]
Cyclohexanol dehydrogenase (chnA) DMEN755 Acinetobacter sp.
CHNA_ACISS
1.1.1.245
[2]
Cyclohexanone monooxygenase (chnB) DMEN756 Acinetobacter sp. Not Available Not Available [2]
⏷ Show the Full List of 7  DME(s)
References
1 Clinical pipeline report, company report or official report of AstraZeneca.
2 The metabolism of cyclohexanol by Acinetobacter NCIB 9871
3 Enzyme reactions involved in anaerobic cyclohexanol metabolism by a denitrifying Pseudomonas species
4 Contribution of liver alcohol dehydrogenase to metabolism of alcohols in rats

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