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Compound Detail

CHEMBL1485

ARGININE
🧪 Phase III
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🧪 Phase III
N=C(N)NCCC[C@H](N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1485
Name ARGININE
Phase Phase III
Structure Type MOL
InChI Key ODKSFYDXXFIFQN-BYPYZUCNSA-N

Known Names

Arginina Arginine L-arginine NSC-206269
2
Targets
6
Activities
2
Assay Types
3
PK Parameters
20
Publications
4
Known Names
20
Indications

Molecular Properties

174.2
MW (Da)
-1.34
ALogP
3
HBA
5
HBD
125.2
PSA (Ų)
0.20
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula C6H14N4O2
MW 174.20
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 1.02

Indications

Anemia, Sickle Cell Carcinoma, Hepatocellular Cardiovascular Diseases Dental Caries Dwarfism, Pituitary Glucose Intolerance Heart Failure Hypersensitivity Periodontitis Polycystic Ovary Syndrome Pre-Eclampsia Severe Acute Respiratory Syndrome Tuberculosis, Pulmonary Alzheimer Disease Argininosuccinic Aciduria Arthritis, Rheumatoid Asthma Cystic Fibrosis Death, Sudden, Cardiac Essential Hypertension

Activity Summary

Kd 4 meas. best 5.16
EC50 2 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nitric oxide synthase, inducible
CHEMBL4481
 Kd 5.16 5.16 7000.0 2
No relevant target
CHEMBL2362975
 Kd 4.22 4.22 60000.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 1393.6 ng.hr.mL-1 Homo sapiens
T1/2 0.25 hr Homo sapiens
T1/2 3.75 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nitric oxide synthase, inducible Kd = 7000.0 nM 5.16 Binding affinity to truncated iNOS construct (1-490) by spectral assay 18220331
Nitric oxide synthase, inducible Kd = 7000.0 nM 5.16 Binding affinity to iNOS with heme domain construct assessed as spectral binding... 19230661
No relevant target Kd = 60000.0 nM 4.22 Dissociation constant of the compound 15293991

Literature References

PubMed DOI Target Context # Activities
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
21574662 10.1021/jf2000053 Botrytis cinerea 14
18838585 10.1128/aac.00421-08 Homo sapiens 12
21574662 10.1021/jf2000053 Solanum lycopersicum 9
21421312 10.1016/j.bmcl.2011.02.081 Saccharomyces cerevisiae 6
27209170 10.1016/j.bmc.2016.05.008 ADMET 3
17895252 10.1074/jbc.m707231200 N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 3
18328700 10.1016/j.bmcl.2008.02.030 Rattus norvegicus 3
18838585 10.1128/aac.00421-08 Plasma 3
20014752 10.1021/tx900326k Hepatotoxicity 3
21917467 10.1016/j.bmc.2011.08.049 Nitric oxide synthase 1 2
27106710 10.1016/j.bmcl.2016.04.023 Large neutral amino acids transporter small subunit 1 2
21917467 10.1016/j.bmc.2011.08.049 Unchecked 2
11714598 10.1016/s0960-894x(01)00608-4 Hairpin ribozyme RNA 2
15293991 10.1021/jm030650o No relevant target 2
16884294 10.1021/jm060005s GH3 2
21917467 10.1016/j.bmc.2011.08.049 Nitric oxide synthase 3 2
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
19230661 10.1016/j.bmcl.2009.01.076 Nitric oxide synthase, inducible 2
21917467 10.1016/j.bmc.2011.08.049 Nitric oxide synthase, inducible 2

Data from ChEMBL 36 via Core Engine