EcoDrugPlus


Synonyms	2,6,8-trioxypurine Idelalisib metabolite m54 Lithic acid NSC-3975 Uric acid Uricum acidum
Status
Molecule Category	Free-form
UNII	268B43MJ25
EPA CompTox	DTXSID3042508

Synonyms

2,6,8-trioxypurine

Idelalisib metabolite m54

Lithic acid

NSC-3975

Uric acid

Uricum acidum

Status

Molecule Category

Free-form

UNII

268B43MJ25

EPA CompTox

DTXSID3042508


InChI Key	LEHOTFFKMJEONL-UHFFFAOYSA-N
Smiles	Oc1nc(O)c2nc(O)[nH]c2n1
InChI	InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)

InChI Key

LEHOTFFKMJEONL-UHFFFAOYSA-N

Smiles

Oc1nc(O)c2nc(O)[nH]c2n1

InChI

InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)

Property Name	Value
Molecular Formula	C5H4N4O3
Molecular Weight	168.11
AlogP	-0.53
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	4.0
Polar Surface Area	115.15
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C5H4N4O3

Molecular Weight

168.11

AlogP

-0.53

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

4.0

Polar Surface Area

115.15

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

12.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Bos taurus	-	-	-	-	5

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Bos taurus

Resources	Reference
CAS NUMBER	69-93-2
ChEBI	46817
ChEMBL	CHEMBL792
DrugBank	DB08844
FDA SRS	268B43MJ25
Human Metabolome Database	HMDB0000289
Guide to Pharmacology	4731
KEGG	C00366
PDB	8HX
PubChem	1175
SureChEMBL	SCHEMBL7933
ZINC	ZINC000002041003

Resources

Reference

CAS NUMBER

ChEBI

ChEMBL

DrugBank

FDA SRS

Human Metabolome Database

HMDB0000289

Guide to Pharmacology

KEGG

PDB

PubChem

SureChEMBL

ZINC

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 23^rd March 2026

URIC ACID

Structure

Physicochemical Descriptors

Pharmacology

Cross References