Details of the Drug

General Information of Drug (ID: DM90TJP)

Drug Name
Sapropterin hydrochloride
Synonyms Biopten (TN)
Indication
Disease Entry ICD 11 Status REF
Hyperphenylalaninemia 5C50 Approved [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
1		 Molecular Weight 314.17
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 6
Chemical Identifiers
Formula
C9H17Cl2N5O3
IUPAC Name
(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
Canonical SMILES
C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O.Cl.Cl
InChI
InChI=1S/C9H15N5O3.2ClH/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);2*1H/t3-,4+,6-;;/m0../s1
InChIKey
RKSUYBCOVNCALL-NTVURLEBSA-N
Cross-matching ID
PubChem CID
135409471
ChEBI ID
CHEMBL32120
CAS Number
69056-38-8
TTD ID
D0S2IQ
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phenylalanine hydroxylase (PAH) TTGSVH2 PH4H_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 2007 FDA drug approvals: a year of flux. Nat Rev Drug Discov. 2008 Feb;7(2):107-9.