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

General Information of Drug (ID: DR2017)
Drug Name
Sapropterin
Synonyms
L-erythro-tetrahydrobiopterin; R-THBP; Sapropterin; Sapropterin (INN); Sapropterin [INN]; Sapropterina; Sapropterinum; tetrahydro-l-biopterin; (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(3H)-one; (6R)-L-erythro-tetrahydrobiopterin; 2-Amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydoro-4(1H)-pteridinone; 62989-33-7; 6R-5,6,7,8-Tetrahydrobiopterin; 6R-BH4; 6R-L-5,6,7,8-Tetrahydrobiopterin; Kuvan; UNII-EGX657432I
Indication Discovery agent 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
135398654
ChEBI ID
CHEBI:59560
CAS Number
62989-33-7
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)/t3-,4+,6-/m0/s1
InChIKey
FNKQXYHWGSIFBK-RPDRRWSUSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Sapropterin M1 PDM007662 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Sapropterin M2 PDM007663 N. A. Conjugation - Alkyl-OH-glucuronidation 1 Human
Sapropterin M3 PDM007664 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Sapropterin M4 PDM007665 N. A. Conjugation - Sulfation of secondary alcohol 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Tryptophan 5-hydroxylase 2 (TPH2) DME0174 Homo sapiens
TPH2_HUMAN
1.14.16.4
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Tryptophan 5-hydroxylase 2 (TPH2) DME0174 Km = 0.0684 microM
TPH2_HUMAN
[2]
References
1 DrugBank 5.0: a major update to the DrugBank database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082. (id: DB00360)
2 Characterization of wild-type and mutant forms of human tryptophan hydroxylase 2. J Neurochem. 2007 Mar;100(6):1648-57.

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