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

General Information of Drug (ID: DR2018)
Drug Name
Tetrahydrobiopterin
Synonyms
Phenoptin; (1R,2S)-(2-Amino-3,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)-1,2-propandiol; 17528-72-2; 2-amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydropteridin-4(3H)-one; 4(1H)-Pteridinone, 5,6,7,8-tetrahydro-2-amino-6-(1,2-dihydroxypropyl)-; 5,6,7,8-Tetrahydro-2-amino-6-(1,2-dihydroxypropyl)-4(1H)-pteridinone; 5,6,7,8-erythro-tetrahydrobiopterin; BH4; BRN 0544742; CHEBI:15372; L-erythro-2-Amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4(3H)-pteridinon
Indication Vitamin deficiency [ICD11: 5B55] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 241.25 Topological Polar Surface Area 132
Heavy Atom Count 17 Rotatable Bond Count 2
Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
135402045
ChEBI ID
CHEBI:15372
CAS Number
17528-72-2
TTD Drug ID
D0Q9YT
Formula
C9H15N5O3
Canonical SMILES
CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O
InChI
1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)
InChIKey
FNKQXYHWGSIFBK-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
BH2(dihydrobiopterin) DM005533 N. A. Unclear 1 [2]
QBH2 DM005533
135398687
Unclear 1 [2]
qBH2(dihydrobiopterin quinoid) DM014792 N. A. Unclear 1 [2]
B0 DM005535
135449517
Unclear 2 [2]
Biopterin DM005535 N. A. Unclear 2 [2]
Tetrahydrobiopterin DM014793 N. A. Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005897 Tetrahydrobiopterin qBH2(dihydrobiopterin quinoid) Unclear Unclear [2]
MR005899 Tetrahydrobiopterin BH2(dihydrobiopterin) Unclear Unclear [2]
MR005900 BH2(dihydrobiopterin) Biopterin Unclear Unclear [2]
MR005901 BH2(dihydrobiopterin) Tetrahydrobiopterin Unclear DHFR [2]
MR005898 qBH2(dihydrobiopterin quinoid) Tetrahydrobiopterin Unclear QDPR [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Dihydrofolate reductase (DHFR) DME0141 Homo sapiens
DYR_HUMAN
1.5.1.3
[2]
Dihydropteridine reductase (QDPR) DMEN284 Homo sapiens
DHPR_HUMAN
1.5.1.34
[2]
Tryptophan 5-hydroxylase 2 (TPH2) DME0174 Homo sapiens
TPH2_HUMAN
1.14.16.4
[3]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Tryptophan 5-hydroxylase 2 (TPH2) DME0174 Km = 0.0147 microM
TPH2_HUMAN
[3]
References
1 Sapropterin: a new therapeutic agent for phenylketonuria. Ann Pharmacother. 2009 Sep;43(9):1466-73.
2 Tetrahydrobioterin (BH4) Pathway: From Metabolism to Neuropsychiatry
3 Characterization of wild-type and mutant forms of human tryptophan hydroxylase 2. J Neurochem. 2007 Mar;100(6):1648-57.

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