Details of the Drug

General Information of Drug (ID: DM6GE21)

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
Disease Entry ICD 11 Status REF
Phenylketonuria 5C50.0 Approved [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 241.25
Logarithm of the Partition Coefficient (xlogp) -1.9
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C9H15N5O3
IUPAC Name
(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one
Canonical SMILES
CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O
InChI
FNKQXYHWGSIFBK-RPDRRWSUSA-N
InChIKey
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
Cross-matching ID
PubChem CID
135398654
ChEBI ID
CHEBI:59560
CAS Number
62989-33-7
DrugBank ID
DB00360
INTEDE ID
DR2017

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Tryptophan 5-hydroxylase 2 (TPH2)
Main DME 		DER6XYF TPH2_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Characterization of wild-type and mutant forms of human tryptophan hydroxylase 2. J Neurochem. 2007 Mar;100(6):1648-57.