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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200559
CHEMBL1200559
Compound Name LACTIC ACID
ChEMBL Synonyms E270 | LACTIC ACID
Max Phase 4 (Approved)
Trade Names
Molecular Formula C3H6O3

Additional synonyms for CHEMBL1200559 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(O)C(=O)O
Standard InChI InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
Standard InChI Key JVTAAEKCZFNVCJ-UHFFFAOYSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Gene Expression Atlas Compounds
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1200559

Molecule Features

CHEMBL1200559 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
pH lowering agent Not Available DOI PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Vaginosis, BacterialD016585EFO:0003932bacterial vaginosis1ClinicalTrials
ElectrolytesD0045734DailyMed
Acid-Base ImbalanceD0001374DailyMed
Breast NeoplasmsD001943EFO:0000305breast carcinoma3ClinicalTrials
TonsillitisD0140691ClinicalTrials

Clinical Data

ClinicalTrials.gov LACTIC ACID
The Cochrane Collaboration LACTIC ACID

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
90.1 90.0317 -0.55 1 57.53 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.91 - -.85 -4.4 0 6 0.45

Structural Alerts

There are no structural alerts for CHEMBL1200559

Compound Cross References

ATC G - GENITO URINARY SYSTEM AND SEX HORMONES
G01 - GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
G01A - ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
G01AD - Organic acids
G01AD01 - lactic acid

ChemSpider ChemSpider:JVTAAEKCZFNVCJ-UHFFFAOYSA-N
DailyMed lactic acid
PubChem SID: 144204600 SID: 144209653 SID: 144213921 SID: 170466852 SID: 17389538

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200559



ACToR 152-36-3 50-21-5 79-33-4 26100-51-6
Atlas lactic acid
Brenda 170247 1219 7226 103930 48511 132153 107650 5286 92997
ChEBI 78320
ChemicalBook CB8193447 CB1193448
DrugBank DB04398
DrugCentral 1533
eMolecules 517908
EPA CompTox Dashboard DTXSID7023192
Human Metabolome Database HMDB0144295
IBM Patent System C0A8E45432FE1F05AB13EED023D2D2C8
KEGG Ligand C01432
Mcule MCULE-5387110670
Metabolights MTBLC78320
MolPort MolPort-001-788-303
Nikkaji J1.358G
NMRShiftDB 8113
PubChem 612 19789253
PubChem: Thomson Pharma 15146339
SureChEMBL SCHEMBL15902696 SCHEMBL999

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