EcoDrugPlus


Synonyms	L-name Ng-nitro-l-arginine methyl ester
Status
Molecule Category	Free-form
UNII	V55S2QJN2X
EPA CompTox	DTXSID5040540

Synonyms

L-name

Ng-nitro-l-arginine methyl ester

Status

Molecule Category

Free-form

UNII

V55S2QJN2X

EPA CompTox

DTXSID5040540


InChI Key	KCWZGJVSDFYRIX-YFKPBYRVSA-N
Smiles	COC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-]
InChI	InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1

InChI Key

KCWZGJVSDFYRIX-YFKPBYRVSA-N

Smiles

COC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-]

InChI

InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1

Property Name	Value
Molecular Formula	C7H15N5O4
Molecular Weight	233.23
AlogP	-1.43
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	6.0
Polar Surface Area	143.37
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C7H15N5O4

Molecular Weight

233.23

AlogP

-1.43

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

6.0

Polar Surface Area

143.37

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

16.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme	-	150-150	-	-	-

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme

150-150

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Mus musculus	-	-	-	-	6.6-69.49

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Mus musculus

6.6-69.49

Resources	Reference
ChEBI	7549
ChEMBL	CHEMBL7890
DrugBank	DB12750
FDA SRS	V55S2QJN2X
Guide to Pharmacology	5213
KEGG	C04337
SureChEMBL	SCHEMBL3034749
ZINC	ZINC000015987659

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

Guide to Pharmacology

KEGG

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...

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Last update: Monday, 3 November 2025

L-NAME

Structure

Physicochemical Descriptors

Pharmacology

Cross References