ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL242948
CHEMBL242948
Compound Name L-CARNOSINE
ChEMBL Synonyms Carnosine
Max Phase 0
Trade Names
Molecular Formula C9H14N4O3

Additional synonyms for CHEMBL242948 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O
Standard InChI InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6 ...
Download InChI
Standard InChI Key CQOVPNPJLQNMDC-ZETCQYMHSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL242948

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
226.2 226.1066 -4.41 6 121.1 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 7 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.01 9 -2.97 -5.76 1 16 0.39

Structural Alerts

There are 1 structural alerts for CHEMBL242948. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CQOVPNPJLQNMDC-ZETCQYMHSA-N
PubChem SID: 11113307 SID: 26754272
Wikipedia Carnosine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL242948



ChEBI 15727 57485
eMolecules 489365 31239584
FDA SRS 8HO6PVN24W
Guide to Pharmacology 4559
Human Metabolome Database HMDB00033
IBM Patent System 4A3B559A08192A39A4DBF5E9FCD2F72B 429C58ED459D8DC861C4AB458E5B8B7D
KEGG Ligand C00386
Mcule MCULE-5739145561
Metabolights MTBLC57485 MTBLC15727
MolPort MolPort-001-792-080
Nikkaji J5.496H
PubChem 439224 6992100
PubChem: Thomson Pharma 15196090 15220561 15121551 15121552
Recon carn
SureChEMBL SCHEMBL33769
ZINC ZINC000002040854

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