ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL279597
CHEMBL279597
Compound Name L-ALANINE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C3H7NO2

Additional synonyms for CHEMBL279597 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](N)C(=O)O
Standard InChI InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
Standard InChI Key QNAYBMKLOCPYGJ-REOHCLBHSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL279597

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
89.1 89.0477 -3.16 1 63.32 ZWITTERION


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.31 9.61 -.57 -3.08 0 6 0.36

Structural Alerts

There are 1 structural alerts for CHEMBL279597. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QNAYBMKLOCPYGJ-REOHCLBHSA-N
PubChem SID: 11113404

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL279597



ACToR 77160-91-9 18875-37-1 81558-16-9 130380-93-7 25191-17-7 115967-49-2
BindingDB 50000099
Brenda 93791 251 145019 369 124070 30646 90334 103 145932 124798 654
ChEBI 16977 57972
DrugBank DB00160
DrugCentral 4255
eMolecules 476060
FDA SRS OF5P57N2ZX
Guide to Pharmacology 4543 720 4542
Human Metabolome Database HMDB0000161
IBM Patent System 9C9B8B94323986A37D59743CD62AAD75
KEGG Ligand C00041
Mcule MCULE-4916719758 MCULE-7791919887
Metabolights MTBLC16977 MTBLC57972
MolPort MolPort-003-925-460
Nikkaji J9.168E
PDBe ALA
PharmGKB PA448055
PubChem 7311724 5950
PubChem: Thomson Pharma 14747373
Recon ala_L
Rhea 57972
SureChEMBL SCHEMBL32
ZINC ZINC000004658553

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