EcoDrugPlus


Synonyms	6r-bh4 Dapropterin Daproterin R-thbp Sapropterin Tetrahydrobiopterin
Status
Molecule Category	Free-form
ATC	A16AX07
UNII	EGX657432I
EPA CompTox	DTXSID1041138


InChI Key	FNKQXYHWGSIFBK-RPDRRWSUSA-N
Smiles	C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=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

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

Resources	Reference
ChEBI	59560
ChEMBL	CHEMBL1201774
DrugBank	DB00360
DrugCentral	2612
FDA SRS	EGX657432I
Human Metabolome Database	HMDB0059658
Guide to Pharmacology	5276
KEGG	C00272
PDB	H4B
PubChem	135398654
SureChEMBL	SCHEMBL258544
ZINC	ZINC000013585233

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

SAPROPTERIN

Structure

Physicochemical Descriptors

Related Entries

Cross References