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

General Information of Drug (ID: DR2239)
Drug Name
ACMC-209hn7
Synonyms
Oprea1_682770; SCHEMBL317180; VOJUXHHACRXLTD-UHFFFAOYSA-N; 1,4-Dihydroxy-2-naphthalenecarboxylic acid; 1,4-Dihydroxy-2-naphthoic acid; 1,4-Dihydroxy-2-naphthoicAcid; 1,4-Dihydroxynaphthalene-2-carboxylic acid; 1,4-Dohydroxy-2-Naphthoic Acid; 1,4-dihydroxy-2-naphthalic acid; 1,4-dihydroxy-2-naphthoate; 1U77MR5Q7O; 2-Naphthalenecarboxylic acid, 1,4-dihydroxy-; 31519-22-9; C03657; CBMicro_022187; CHEBI:18094; DSSTox_CID_17730; DSSTox_GSID_37730; DSSTox_RID_79366; EINECS 250-674-7; UNII-1U77MR5Q7O; bmse000688
Indication Ulcerative colitis [ICD11: DD71] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 204.18 Topological Polar Surface Area 77.8
Heavy Atom Count 15 Rotatable Bond Count 1
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
671
ChEBI ID
CHEBI:18094
CAS Number
31519-22-9
Formula
C11H8O4
Canonical SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)O
InChI
1S/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)
InChIKey
VOJUXHHACRXLTD-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
DMK DM001697 N. A. Unclear 1 [2]
Menaquinone DM001698
5287554
Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000056 ACMC-209hn7 DMK Unclear Unclear [2]
MR000055 DMK Menaquinone Unclear MENG [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Demethylmenaquinone methyltransferase (menG) DMEN034 Staphylococcus aureus
MENG_STAAM
2.8.2.1
[2]
Unclear metabolic mechanism (DME-unclear) DME1271 Faecalibacterium prausnitzii Not Available Not Available [3]
References
1 Propionibacterium freudenreichii component 1.4-dihydroxy-2-naphthoic acid (DHNA) attenuates dextran sodium sulphate induced colitis by modulation of bacterial flora and lymphocyte homing. Gut. 2006 May;55(5):681-8.
2 Identification of six important amino acid residues of MenA from Bacillus subtilis natto for enzyme activity and formation of menaquinone Enzyme Microb Technol. 2020 Aug;138:109583. doi: 10.1016/j.enzmictec.2020.109583.
3 Quinones are growth factors for the human gut microbiota. Microbiome. 2017 Dec 20;5(1):161.

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