SAPROPTERIN

Search structure
Synonyms:
Status: Approved (2007)
Entry Type: Small molecule
Molecule Category: Parent
ATC: A16AX07
UNII: EGX657432I

Structure
InChI Key FNKQXYHWGSIFBK-RPDRRWSUSA-N
Smile C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)nc(O)c2N1
InChI
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H15N5O3
Molecular Weight 241.25
AlogP -1.29
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 2.0
Polar Surface Area 136.55
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Primary Target
L-Phenylalanine hydroxylase
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
- - 1120 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Renal Insufficiency, Chronic 2 D051436 ClinicalTrials
Autistic Disorder 2 D001321 ClinicalTrials
Alzheimer Disease 2 D000544 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 2 D029424 ClinicalTrials
Lesch-Nyhan Syndrome 2 D007926 ClinicalTrials
Phenylketonurias 2 D010661 ClinicalTrials
Hypertension, Portal 2 D006975 ClinicalTrials
Liver Cirrhosis 2 D008103 ClinicalTrials
Hypertension 0 D006973 ClinicalTrials
Heart Failure 0 D006333 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 62989-33-7
ChEBI 59560
ChEMBL CHEMBL1201774
DrugBank DB00360
DrugCentral 2612
EPA CompTox DTXSID1041138
FDA SRS EGX657432I
Human Metabolome Database HMDB0059658
Guide to Pharmacology 5276
KEGG C00272
PDB H4B
PubChem 135398654
SureChEMBL SCHEMBL258544
ZINC ZINC000013585233
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