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

General Information of Drug (ID: DR1911)
Drug Name
BST-4001
Synonyms
EU-0067145; LS-187048; LS-187660; NCGC00013273; NHZMQXZHNVQTQA-UHFFFAOYSA-N; Oprea1_400404; Pyridoxylamine; VITAMIN B COMPLEX; nchembio.93-comp3; pyridoxamine; 3-Pyridinemethanol, 4-(aminomethyl)-5-hydroxy-6-methyl-; 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL; 4-(Aminomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinol; 6466NM3W93; 85-87-0; AC1L1AMB; C00534; CBDivE_013510; CHEBI:16410; EINECS 201-640-5; NCI21278; NCI60_001792; NCIStruc1_000457; NCIStruc2_000537; NSC-21278; NSC21278; PXM; UNII-6466NM3W93; bmse000130
Indication Diabetic nephropathy [ICD11: GB61] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 168.19 Topological Polar Surface Area 79.4
Heavy Atom Count 12 Rotatable Bond Count 2
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
1052
PubChem SID
3816 ; 831723 ; 835061 ; 835065 ; 835069 ; 4252720 ; 4451228 ; 7890124 ; 8143574 ; 8150947 ; 10319847 ; 10537035 ; 11142447 ; 11406185 ; 11457881 ; 11459944 ; 15194988 ; 24305802 ; 24439405 ; 26651867 ; 29196271 ; 29196274 ; 47217156 ; 49737755 ; 50070585 ; 50071196 ; 50108077 ; 50397717 ; 53776771 ; 57320699 ; 57566563 ; 57641282 ; 85089056 ; 85164961 ; 91056273 ; 92298009 ; 103717483 ; 104296624 ; 104813139 ; 118299127 ; 124635911 ; 124877191 ; 125616993 ; 126524049 ; 126671835 ; 127280580 ; 127280581 ; 127280582 ; 127280583 ; 127329709
ChEBI ID
ChEBI:16410
CAS Number
98-96-4
TTD Drug ID
D02YPU
Formula
C8H12N2O2
Canonical SMILES
CC1=NC=C(C(=C1O)CN)CO
InChI
1S/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
InChIKey
NHZMQXZHNVQTQA-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
Pyridoxamine 5-phosphate DM002520
1053
Unclear 1 [2]
Pyridoxal 5-phosphate DM002521
1051
Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000468 BST-4001 Pyridoxamine 5-phosphate Unclear PDXK [2]
MR000467 Pyridoxamine 5-phosphate Pyridoxal 5-phosphate Unclear PNPO [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Pyridoxal kinase (PDXK) DMEN073 Homo sapiens
PDXK_HUMAN
Not Available [2]
Pyridoxamine-phosphate oxidase (PNPO) DME0209 Homo sapiens
PNPO_HUMAN
1.4.3.5
[3]
References
1 ClinicalTrials.gov (NCT02156843) Pyridorin in Diabetic Nephropathy.
2 Effect of tryptophan metabolites on the activities of rat liver pyridoxal kinase and pyridoxamine 5-phosphate oxidase in vitro Biochem J. 1985 Apr 15;227(2):537-44. doi: 10.1042/bj2270537.
3 An LC-MS/MS-based method for the quantification of pyridox(am)ine 5'-phosphate oxidase activity in dried blood spots from patients with epilepsy. Anal Chem. 2017 Sep 5;89(17):8892-8900.

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