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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL291962
CHEMBL291962
Compound Name LEUCINE
ChEMBL Synonyms E641 | L-LEUCINE | Leucine
Max Phase 3
Trade Names
Molecular Formula C6H13NO2

Additional synonyms for CHEMBL291962 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C[C@H](N)C(=O)O
Standard InChI InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8, ...
Download InChI
Standard InChI Key ROHFNLRQFUQHCH-YFKPBYRVSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL291962

Molecule Features

CHEMBL291962 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
SarcopeniaD055948EFO:1000653sarcopenia1ClinicalTrials
Diabetes Mellitus, Type 2D003924EFO:0001360type II diabetes mellitus2ClinicalTrials
Anemia, Diamond-BlackfanD029503Orphanet:124Blackfan-Diamond anemia2ClinicalTrials
Metabolic SyndromeD024821EFO:0000195metabolic syndrome2ClinicalTrials
NeoplasmsD009369EFO:0000311cancer1ClinicalTrials
ObesityD009765EFO:0001073obesity2ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression2ClinicalTrials
Hyperoxaluria, PrimaryD006960Orphanet:416Primary hyperoxaluria1ClinicalTrials

Clinical Data

ClinicalTrials.gov LEUCINE
The Cochrane Collaboration LEUCINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
131.2 131.0946 0.44 3 63.32 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.55 9.79 .8 -1.7 0 9 0.58

Structural Alerts

There are 1 structural alerts for CHEMBL291962. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ROHFNLRQFUQHCH-YFKPBYRVSA-N
PubChem SID: 4253012
Wikipedia Leucine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL291962



ACToR 70-45-1 21675-61-6 71000-80-1 25248-98-0
BindingDB 50219348
Brenda 145056 95409 127 124073 424 145944 421 113715 124800 46202 641 145970 145030
ChEBI 57427 15603
ChemicalBook CB8742186
DrugBank DB00149
DrugCentral 1557
eMolecules 514488
EPA CompTox Dashboard DTXSID9023203
FDA SRS GMW67QNF9C
Guide to Pharmacology 3312
Human Metabolome Database HMDB0000687 HMDB0062203
IBM Patent System 914713AFCA8E76E034950A96E2D41407
KEGG Ligand C00123
Mcule MCULE-4930237913
Metabolights MTBLC15603 MTBLC57427
MolPort MolPort-001-792-018
Nikkaji J1.167C
NMRShiftDB 20026342
PDBe LEU
PubChem 7045798 6106
PubChem: Thomson Pharma 15146625 15218991
Recon leu_L
Rhea 57427
SureChEMBL SCHEMBL3889
ZINC ZINC000003645145

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