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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1485
CHEMBL1485
Compound Name ARGININE
ChEMBL Synonyms ARGININE
Max Phase 3
Trade Names
Molecular Formula C6H14N4O2

Additional synonyms for CHEMBL1485 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](CCCNC(=N)N)C(=O)O
Standard InChI InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,( ...
Download InChI
Standard InChI Key ODKSFYDXXFIFQN-BYPYZUCNSA-N

Sources

  • BindingDB Database
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1485

Molecule Features

CHEMBL1485 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease3ClinicalTrials
Dental CariesD003731EFO:0003819dental caries2ClinicalTrials
Liver CirrhosisD008103EFO:0001422cirrhosis of liver1ClinicalTrials
PainD010146EFO:0003843pain2ClinicalTrials
Small Cell Lung CarcinomaD055752EFO:0000702small cell lung carcinoma2ClinicalTrials
Urinary Bladder NeoplasmsD001749EFO:0000292bladder carcinoma2ClinicalTrials
Coronary Artery DiseaseD003324EFO:0000378coronary artery disease1ClinicalTrials
Cystic FibrosisD003550Orphanet:586Cystic fibrosis2ClinicalTrials
Head and Neck NeoplasmsD006258EFO:0006859head and neck malignant neoplasia2ClinicalTrials
Hepatitis, AlcoholicD006519EFO:1001345Hepatitis, Alcoholic2ClinicalTrials
Pre-EclampsiaD011225EFO:0000668preeclampsia3ClinicalTrials
Argininosuccinic AciduriaD056807Orphanet:23Argininosuccinic aciduria2ClinicalTrials
Diabetes Mellitus, Type 2D003924EFO:0001360type II diabetes mellitus1ClinicalTrials
GlioblastomaD005909EFO:0000519glioblastoma multiforme1ClinicalTrials
Glucose IntoleranceD018149HP:0000833Glucose intolerance3ClinicalTrials
Kidney DiseasesD007674EFO:0003086kidney disease0ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm1ClinicalTrials
Polycystic Kidney, Autosomal DominantD016891EFO:1001496Autosomal dominant polycystic kidney disease1ClinicalTrials
Anemia, Sickle CellD000755Orphanet:232Sickle cell anemia3ClinicalTrials
Malaria, FalciparumD016778EFO:0007444Plasmodium falciparum malaria2ClinicalTrials
PregnancyD011247EFO:0002950pregnancy2ClinicalTrials
Aortic Aneurysm, AbdominalD017544EFO:0004214Abdominal Aortic Aneurysm2ClinicalTrials
AsthmaD001249EFO:0000270asthma2ClinicalTrials
Carcinoma, HepatocellularD006528EFO:0000182hepatocellular carcinoma3ClinicalTrials
Essential HypertensionD000075222EFO:1002032primary hypertension2ClinicalTrials
Heart FailureD006333EFO:0000373congestive heart failure1ClinicalTrials
MELAS SyndromeD017241Orphanet:550MELAS2ClinicalTrials
Prostatic NeoplasmsD011471EFO:0001663prostate carcinoma2ClinicalTrials
SepsisD018805HP:0100806sepsis2ClinicalTrials
TuberculosisD014376Orphanet:3389Tuberculosis3ClinicalTrials
beta-ThalassemiaD017086Orphanet:848Beta-thalassemia2ClinicalTrials
Alzheimer DiseaseD000544EFO:0000249Alzheimers disease2ClinicalTrials
Hernias, Diaphragmatic, CongenitalD065630EFO:0005207congenital heart disease2ClinicalTrials
HypertensionD006973EFO:0000537hypertension1ClinicalTrials
LymphomaD008223EFO:0000574lymphoma2ClinicalTrials
Muscular Dystrophy, DuchenneD020388Orphanet:98896Duchenne muscular dystrophy1ClinicalTrials

Clinical Data

ClinicalTrials.gov ARGININE
The Cochrane Collaboration ARGININE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1485. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL5951 Neuropeptide FF receptor 1 Homo sapiens 1.000
CHEMBL5952 Neuropeptide FF receptor 2 Homo sapiens 1.000
CHEMBL4761 C3a anaphylatoxin chemotactic receptor Homo sapiens 1.000
CHEMBL3018 Matriptase Homo sapiens 1.000
CHEMBL4803 Nitric-oxide synthase, endothelial Homo sapiens 1.000
CHEMBL1075317 WD repeat-containing protein 5 Homo sapiens 1.000
CHEMBL204 Thrombin Homo sapiens 0.999
CHEMBL3769 Trypsin I Bos taurus 0.994
CHEMBL209 Trypsin I Homo sapiens 0.988
CHEMBL2079849 Serine protease hepsin Homo sapiens 0.957
CHEMBL3048 Nitric-oxide synthase, brain Rattus norvegicus 0.949
CHEMBL1801 Plasminogen Homo sapiens 0.946
CHEMBL2009 Glutamate receptor ionotropic, AMPA 1 Homo sapiens 0.826
CHEMBL1873 Tissue-type plasminogen activator Homo sapiens 0.769
CHEMBL2424 Glyoxalase I Homo sapiens 0.337
CHEMBL4608 Melanocortin receptor 5 Homo sapiens 0.336
CHEMBL3753 Glutamate receptor ionotropic, AMPA 1 Rattus norvegicus 0.277
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.269
CHEMBL244 Coagulation factor X Homo sapiens 0.242



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5952 Neuropeptide FF receptor 2 Homo sapiens 1.000
CHEMBL5951 Neuropeptide FF receptor 1 Homo sapiens 1.000
CHEMBL4761 C3a anaphylatoxin chemotactic receptor Homo sapiens 1.000
CHEMBL5043 Endoplasmic reticulum aminopeptidase 2 Homo sapiens 1.000
CHEMBL1075317 WD repeat-containing protein 5 Homo sapiens 1.000
CHEMBL2693 Cystinyl aminopeptidase Homo sapiens 1.000
CHEMBL3018 Matriptase Homo sapiens 1.000
CHEMBL3048 Nitric-oxide synthase, brain Rattus norvegicus 1.000
CHEMBL5419 Genome polyprotein West Nile virus 0.999
CHEMBL204 Thrombin Homo sapiens 0.999
CHEMBL3769 Trypsin I Bos taurus 0.996
CHEMBL209 Trypsin I Homo sapiens 0.992
CHEMBL4802 Nitric-oxide synthase, endothelial Bos taurus 0.983
CHEMBL2079849 Serine protease hepsin Homo sapiens 0.977
CHEMBL4481 Nitric oxide synthase, inducible Homo sapiens 0.972
CHEMBL2590 Aminopeptidase N Sus scrofa 0.963
CHEMBL5939 Endoplasmic reticulum aminopeptidase 1 Homo sapiens 0.963
CHEMBL3464 Nitric oxide synthase, inducible Mus musculus 0.951
CHEMBL3568 Nitric-oxide synthase, brain Homo sapiens 0.940
CHEMBL4803 Nitric-oxide synthase, endothelial Homo sapiens 0.897

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
174.2 174.1117 -1.34 5 125.22 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 5 0 6 7 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.49 13.58 -1.65 -5.12 0 12 0.2

Structural Alerts

There are 7 structural alerts for CHEMBL1485. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ODKSFYDXXFIFQN-BYPYZUCNSA-N
PubChem SID: 11110746 SID: 11113629 SID: 170465748 SID: 50104526 SID: 90341198
Wikipedia Arginine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1485



ACToR 25212-18-4 142-49-4 4455-52-1 17806-42-7
BindingDB 21959 181132
Brenda 136824 123 145935 100782 96159 145021 106388 367 138050 532 178 208295 106389
ChEBI 16467
ChemicalBook CB9226645
DrugBank DB00125
DrugCentral 1549
eMolecules 478552
EPA CompTox Dashboard DTXSID6041056
FDA SRS 94ZLA3W45F
Guide to Pharmacology 721
Human Metabolome Database HMDB0000517
IBM Patent System 6259683DECBD35D3E4DF01A2D2A5C7BA
KEGG Ligand C00062
Mcule MCULE-1290049418 MCULE-5108123240
Metabolights MTBLC16467
MolPort MolPort-006-109-239 MolPort-000-000-568
Nikkaji J9.182K
NMRShiftDB 30095880
PharmGKB PA448478
PubChem 28782 6322
PubChem: Thomson Pharma 14772629 14772631
SureChEMBL SCHEMBL1791
ZINC ZINC000001532525

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ODKSFYDXXFIFQN-BYPYZUCNSA-N spacer
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