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Compound Detail

CHEMBL7890

L-NAME
🧪 Phase II
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🧪 Phase II
COC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL7890
Name L-NAME
Phase Phase II
Structure Type MOL
InChI Key KCWZGJVSDFYRIX-YFKPBYRVSA-N

Known Names

L-name Ng-nitro-l-arginine methyl ester
11
Targets
45
Activities
2
Assay Types
0
PK Parameters
20
Publications
2
Known Names
2
Indications

Molecular Properties

233.2
MW (Da)
-1.43
ALogP
6
HBA
4
HBD
143.4
PSA (Ų)
0.11
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula C7H15N5O4
MW 233.23
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.37

Indications

Asthma Cardiovascular Diseases

Activity Summary

IC50 44 meas. best 6.82
Ki 1 meas. best 4.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nitric oxide synthase 1
CHEMBL3048
 IC50 6.82 5.49 150.0 2
Nitric oxide synthase 1
CHEMBL3568
 IC50 6.82 6.14 150.0 3
Nitric oxide synthase 3
CHEMBL4803
 IC50 5.82 5.695 1500.0 4
Nitric oxide synthase, inducible
CHEMBL3464
 IC50 5.58 4.91 2600.0 4
Nitric oxide synthase, inducible
CHEMBL4481
 IC50 5.1 4.954 8000.0 5
Unchecked
CHEMBL612545
 IC50 4.72 4.5267 18900.0 3
RAW264.7
CHEMBL612557
 IC50 4.63 4.358 23210.0 10
BV-2
CHEMBL614781
 IC50 4.61 4.5467 24700.0 3
Nitric oxide synthase, inducible
CHEMBL4481
 Ki 4.16 4.16 70000.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.14 4.14 73180.0 1
J774.A1
CHEMBL614040
 IC50 4.14 4.14 73180.0 2
Nitric oxide synthase 3
CHEMBL4802
 IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nitric oxide synthase 1 IC50 = 150.0 nM 6.82 Inhibitory activity against human neuronal nitric oxide synthase 12620067
Nitric oxide synthase 1 IC50 = 150.0 nM 6.82 Inhibition of conversion of [3H]L-Arg to [3H]L-citrulline catalyzed by neuronal ... 11327580
Nitric oxide synthase 3 IC50 = 1500.0 nM 5.82 Inhibitory concentration against recombinant human Endothelial nitric oxide synt... 12781178
Nitric oxide synthase 3 IC50 = 1500.0 nM 5.82 In vitro inhibition of endothelial nitric oxide synthase. 12182860
Nitric oxide synthase 1 IC50 = 1600.0 nM 5.8 Inhibitory concentration against recombinant human (neuronal nitric oxide syntha... 12781178
Nitric oxide synthase 1 IC50 = 1600.0 nM 5.8 Concentration required to inhibit neuronal nitric oxide synthase 12182860
Nitric oxide synthase, inducible IC50 = 2600.0 nM 5.58 Compound was tested for its inhibitory activity against macrophage NO2- synthesi... 7518001
Nitric oxide synthase 3 IC50 = 2700.0 nM 5.57 Ability to inhibit conversion of [3H]L-Arg to [3H]L-citrulline catalyzed by endo... 11327580
Nitric oxide synthase 3 IC50 = 2700.0 nM 5.57 Inhibitory activity against human endothelial nitric oxide synthase 12620067
Nitric oxide synthase, inducible IC50 = 8000.0 nM 5.1 In vitro inhibition of inducible nitric oxide synthase. 12182860
Nitric oxide synthase, inducible IC50 = 8000.0 nM 5.1 Inhibitory concentration against human Inducible nitric oxide synthase 12781178
Nitric oxide synthase, inducible IC50 = 13350.0 nM 4.88 Inhibition of iNOS-mediated nitric oxide production in LPS-stimulated mouse BV2 ... 22115618
Nitric oxide synthase, inducible IC50 = 13500.0 nM 4.87 Inhibition of iNOS (unknown origin) 36641860
Nitric oxide synthase, inducible IC50 = 14000.0 nM 4.85 Ability to inhibit conversion of [3H]L-Arg to [3H]L-citrulline catalyzed by indu... 11327580
Nitric oxide synthase, inducible IC50 = 14000.0 nM 4.85 Inhibitory activity of compound against human inducible nitric oxide synthase 12620067
Unchecked IC50 = 18900.0 nM 4.72 Inhibition of Nitric oxide synthase activity in mouse BV2 cells assessed as LPS-... 21377368
Unchecked IC50 = 20100.0 nM 4.7 Inhibition of nitric oxide synthase in mouse BV2 cells assessed as inhibition of... 18161942
RAW264.7 IC50 = 23210.0 nM 4.63 Anti-inflammatory activity in Mus musculus (mouse) RAW264.7 cells assessed as in... -
BV-2 IC50 = 24700.0 nM 4.61 Inhibition of LPS-induced NO production in mouse BV2 cells preincubated for 1 hr... 27588326
Nitric oxide synthase, inducible IC50 = 25800.0 nM 4.59 Inhibition of iNOS-mediated NO production in LPS-induced mouse BV2 cells 18926710

Literature References

PubMed DOI Target Context # Activities
11087610 10.1021/np000191j NON-PROTEIN TARGET 4
11087610 10.1021/np000191j N9 4
15664809 10.1016/j.bmcl.2004.11.047 J774.A1 3
11327580 10.1016/s0960-894x(01)00119-6 Nitric oxide synthase, inducible 2
26101565 10.1021/acsmedchemlett.5b00149 Rattus norvegicus 2
17046255 10.1016/j.bmcl.2006.09.046 BV-2 2
18161942 10.1021/np070383f Unchecked 2
16998480 10.1038/nchembio821 Unchecked 2
11000020 10.1021/np9902791 RAW264.7 2
21028898 10.1021/np1002143 BV-2 2
12620067 10.1021/jm0255926 Nitric oxide synthase, inducible 1
12182860 10.1016/s0960-894x(02)00481-x Nitric oxide synthase, inducible 1
37931330 10.1016/j.ejmech.2023.115912 Unchecked 1
12620067 10.1021/jm0255926 DLD-1 1
12620067 10.1021/jm0255926 Nitric oxide synthase 1 1
12620067 10.1021/jm0255926 Nitric oxide synthase 3 1
12781178 10.1016/s0960-894x(03)00351-2 Nitric-oxide synthase (endothelial and brain) 1
12781178 10.1016/s0960-894x(03)00351-2 Nitric oxide synthase, inducible 1
12781178 10.1016/s0960-894x(03)00351-2 Nitric oxide synthase 1 1
11327580 10.1016/s0960-894x(01)00119-6 Nitric oxide synthase 3 1

Data from ChEMBL 36 via Core Engine