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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

  • 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
ANEMIA, SICKLE CELLD000755Orphanet:232SICKLE CELL ANEMIA3ClinicalTrials
KIDNEY DISEASESD007674EFO:0003086KIDNEY DISEASE0ClinicalTrials
CYSTIC FIBROSISD003550Orphanet:586CYSTIC FIBROSIS2ClinicalTrials
GLIOBLASTOMAD005909EFO:0000519GLIOBLASTOMA MULTIFORME1ClinicalTrials
PAIND010146EFO:0003843PAIN2ClinicalTrials
ASTHMAD001249EFO:0000270ASTHMA2ClinicalTrials
DIABETES MELLITUS, TYPE 2D003924EFO:0001360TYPE II DIABETES MELLITUS1ClinicalTrials
MALARIA, FALCIPARUMD016778EFO:0007444PLASMODIUM FALCIPARUM MALARIA2ClinicalTrials
MUSCULAR DYSTROPHY, DUCHENNED020388Orphanet:98896DUCHENNE MUSCULAR DYSTROPHY1ClinicalTrials
PRE-ECLAMPSIAD011225EFO:0000668PREECLAMPSIA3ClinicalTrials
HEPATITIS, ALCOHOLICD006519EFO:1001345HEPATITIS, ALCOHOLIC2ClinicalTrials
SEPSISD018805EFO:0001420SEPSIS2ClinicalTrials
PROSTATIC NEOPLASMSD011471EFO:0001663PROSTATE CARCINOMA2ClinicalTrials
SMALL CELL LUNG CARCINOMAD055752EFO:0000702SMALL CELL LUNG CARCINOMA2ClinicalTrials
TUBERCULOSISD014376Orphanet:3389TUBERCULOSIS3ClinicalTrials
URINARY BLADDER NEOPLASMSD001749EFO:0000292BLADDER CARCINOMA2ClinicalTrials

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
CHEMBL204 Thrombin Homo sapiens 0.999
CHEMBL3769 Trypsin I Bos taurus 0.993
CHEMBL4803 Nitric-oxide synthase, endothelial Homo sapiens 0.992
CHEMBL1801 Plasminogen Homo sapiens 0.950
CHEMBL209 Trypsin I Homo sapiens 0.900
CHEMBL2882 Histamine H2 receptor Cavia porcellus 0.791
CHEMBL1873 Tissue-type plasminogen activator Homo sapiens 0.763
CHEMBL2424 Glyoxalase I Homo sapiens 0.369
CHEMBL2009 Glutamate receptor ionotropic, AMPA 1 Homo sapiens 0.297
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.261



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
CHEMBL3018 Matriptase Homo sapiens 1.000
CHEMBL204 Thrombin Homo sapiens 0.999
CHEMBL3769 Trypsin I Bos taurus 0.993
CHEMBL2693 Cystinyl aminopeptidase Homo sapiens 0.992
CHEMBL1795117 Histone-lysine N-methyltransferase, H3 lysine-79 specific Homo sapiens 0.968
CHEMBL209 Trypsin I Homo sapiens 0.945
CHEMBL1801 Plasminogen Homo sapiens 0.868
CHEMBL4802 Nitric-oxide synthase, endothelial Bos taurus 0.825
CHEMBL3204 Plasminogen Rattus norvegicus 0.693
CHEMBL2882 Histamine H2 receptor Cavia porcellus 0.607
CHEMBL4506 NAD-dependent deacetylase sirtuin 1 Homo sapiens 0.473
CHEMBL4444 Vitamin K-dependent protein C Homo sapiens 0.372
CHEMBL3656 Coagulation factor X Bos taurus 0.361
CHEMBL2009 Glutamate receptor ionotropic, AMPA 1 Homo sapiens 0.315
CHEMBL4803 Nitric-oxide synthase, endothelial Homo sapiens 0.281
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.274
CHEMBL1873 Tissue-type plasminogen activator Homo sapiens 0.271

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
174.2 174.1117 -3.83 6 125.22 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 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 0.16

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
Brenda 136824 123 145935 100782 96159 145021 106388 367 138050 532 178 106389
ChEBI 16467
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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