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Compound Detail

CHEMBL1234777

NOR-NOHA
Phase I
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Phase I
N=C(NO)NCC[C@H](N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1234777
Name NOR-NOHA
Phase Phase I
Structure Type MOL
InChI Key KOBHCUDVWOTEKO-VKHMYHEASA-N

Known Names

J842.499C N-hydroxy-nor-arginine N-hydroxy-nor-l-arginine N.omega.-hydroxy-nor-l-arginine Nor-noha
5
Targets
21
Activities
3
Assay Types
4
PK Parameters
17
Publications
5
Known Names

Molecular Properties

176.2
MW (Da)
-1.71
ALogP
4
HBA
6
HBD
131.5
PSA (Ų)
0.17
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula C5H12N4O3
MW 176.18
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 0.94

Activity Summary

IC50 15 meas. best 7.29
Kd 3 meas. best 7.33
Ki 3 meas. best 7.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arginase-1
CHEMBL1075097
 Kd 7.33 6.9733 47.0 3
Arginase-2, mitochondrial
CHEMBL1795148
 IC50 7.29 7.29 51.0 1
Arginase-2, mitochondrial
CHEMBL1795148
 Ki 7.29 7.29 51.0 2
Arginase-1
CHEMBL1075097
 IC50 6.35 5.8667 450.0 6
Arginase-1
CHEMBL3232699
 Ki 6.3 6.3 500.0 1
Arginase-1
CHEMBL3232699
 IC50 6.1 5.55 800.0 4
Unchecked
CHEMBL612545
 IC50 5.9 5.3233 1260.0 3
Arginase-1
CHEMBL1075060
 IC50 5.57 5.57 2700.0 1

Pharmacokinetic Data

Parameter Value Units Species
F 100.0 % Rattus norvegicus
F 100.0 % Rattus norvegicus
T1/2 0.25 hr Rattus norvegicus
T1/2 0.25 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Arginase-1 Kd = 47.0 nM 7.33 Binding affinity to arginase 1 (unknown origin) 29326017
Arginase-1 Kd = 50.0 nM 7.3 Inhibition of human Arginase I assessed as dissociation constant by ITC analysis 36822300
Arginase-2, mitochondrial IC50 = 51.0 nM 7.29 Binding affinity to human ARG2 assessed as inhibition constant 33773287
Arginase-2, mitochondrial Ki = 51.0 nM 7.29 Inhibition of human Arg2 at pH 7.5 32828425
Arginase-2, mitochondrial Ki = 51.0 nM 7.29 Inhibition of arginase 2 (unknown origin) 29326017
Arginase-1 IC50 = 450.0 nM 6.35 Inhibition of recombinant human ARG1 expressed in Escherichia coli using L-argin... 33773287
Arginase-1 Ki = 500.0 nM 6.3 Inhibition of Sprague-Dawley rat liver arginase 1 assessed as inhibition constan... 36063653
Arginase-1 Kd = 517.0 nM 6.29 Binding affinity to human Arg1 at pH 8.5 32828425
Arginase-1 IC50 = 517.0 nM 6.29 Binding affinity to human ARG1 assessed as dissociation constant 33773287
Arginase-1 IC50 = 800.0 nM 6.1 Inhibition of rat ARG1 33773287
Arginase-1 IC50 = 800.0 nM 6.1 Inhibition of rat Arg1 at pH 7.4 32828425
Unchecked IC50 = 1260.0 nM 5.9 Inhibition of human recombinant arginase 2 H331 to I354 deletion mutant expresse... 31408339
Arginase-1 IC50 = 1360.0 nM 5.87 Inhibition of human recombinant arginase 1 expressed in Escherichia coli BL21 (D... 31408339
Unchecked IC50 = 1700.0 nM 5.77 Inhibition of bovine liver arginase assessed as reduction in urea production usi... 28837342
Arginase-1 IC50 = 1700.0 nM 5.77 Inhibition of human arginase 1 measured after 60 mins by calorimetric assay 36063653
Arginase-1 IC50 = 2000.0 nM 5.7 Inhibition of rat liver arginase 24583353
Arginase-1 IC50 = 2000.0 nM 5.7 Inhibition of human ARG1 30125720
Arginase-1 IC50 = 2700.0 nM 5.57 Inhibition of recombinant bovine liver ARGI using L-arginine as substrate incuba... 33479657
Arginase-1 IC50 = 6000.0 nM 5.22 Inhibition of recombinant human liver ARGI using L-arginine as substrate incubat... 33479657
Unchecked IC50 = 50000.0 nM 4.3 Inhibition of mouse macrophage arginase 24583353

Literature References

PubMed DOI Target Context # Activities
36063653 10.1016/j.bmc.2022.116970 Arginase-1 3
33773287 10.1016/j.ejmech.2021.113356 Arginase-1 3
33479657 10.1039/d0md00011f Arginase-1 2
30125720 10.1016/j.ejmech.2018.08.028 ADMET 2
32828425 10.1016/j.bmc.2020.115658 Arginase-1 2
29326017 10.1016/j.bmcl.2017.12.044 Rattus norvegicus 2
29326017 10.1016/j.bmcl.2017.12.044 Arginase-1 1
31408339 10.1021/acs.jmedchem.9b00931 Arginase-1 1
31408339 10.1021/acs.jmedchem.9b00931 Unchecked 1
24583353 10.1016/j.ejmech.2014.02.008 Unchecked 1
29326017 10.1016/j.bmcl.2017.12.044 Arginase-2, mitochondrial 1
32828425 10.1016/j.bmc.2020.115658 Arginase-2, mitochondrial 1
33773287 10.1016/j.ejmech.2021.113356 Arginase-2, mitochondrial 1
36822300 10.1016/j.bmcl.2023.129193 Arginase-1 1
30125720 10.1016/j.ejmech.2018.08.028 Arginase-1 1
28837342 10.1021/acs.jnatprod.7b00197 Unchecked 1
24583353 10.1016/j.ejmech.2014.02.008 Arginase-1 1

Data from ChEMBL 36 via Core Engine