EcoDrugPlus


Synonyms	BMS-205603-01 Fluorouracil specified compound c Hybar x Lamivudine impurity e Lamivudine impurity e rs NSC-3970 Pyrod SQ-6201 SQ-7726 SQ-8493 Uracil
Status
Molecule Category	Free-form
UNII	56HH86ZVCT
EPA CompTox	DTXSID4021424

Synonyms

BMS-205603-01

Fluorouracil specified compound c

Hybar x

Lamivudine impurity e

Lamivudine impurity e rs

NSC-3970

Pyrod

SQ-6201

SQ-7726

SQ-8493

Uracil

Status

Molecule Category

Free-form

UNII

56HH86ZVCT

EPA CompTox

DTXSID4021424


InChI Key	ISAKRJDGNUQOIC-UHFFFAOYSA-N
Smiles	O=c1cc[nH]c(=O)[nH]1
InChI	InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)

InChI Key

ISAKRJDGNUQOIC-UHFFFAOYSA-N

Smiles

O=c1cc[nH]c(=O)[nH]1

InChI

InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)

Property Name	Value
Molecular Formula	C4H4N2O2
Molecular Weight	112.09
AlogP	-0.94
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Polar Surface Area	65.72
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	8.0

Property Name

Value

Molecular Formula

C4H4N2O2

Molecular Weight

112.09

AlogP

-0.94

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Polar Surface Area

65.72

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

8.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Streptococcus pyogenes	-	-	-	-	2.7

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Streptococcus pyogenes

2.7

Resources	Reference
ChEBI	17568
ChEMBL	CHEMBL566
DrugBank	DB03419
FDA SRS	56HH86ZVCT
Human Metabolome Database	HMDB0000300
Guide to Pharmacology	4560
KEGG	C00106
PDB	URA
PubChem	1174
SureChEMBL	SCHEMBL8235
ZINC	ZINC000000895045

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

Human Metabolome Database

HMDB0000300

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

URACIL

Structure

Physicochemical Descriptors

Pharmacology

Cross References