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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL286398
CHEMBL286398
Compound Name PROPYLENE GLYCOL
ChEMBL Synonyms E490 | E1520 | Sirlene | Propylene Glycol | Sentry Propylene Glycol | Propylene Glycol Cefatrizine
Max Phase 0
Trade Names
Molecular Formula C3H8O2

Additional synonyms for CHEMBL286398 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(O)CO
Standard InChI InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
Standard InChI Key DNIAPMSPPWPWGF-UHFFFAOYSA-N

Molecule Features

CHEMBL286398 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are no structural alerts for CHEMBL286398

Alternate Forms of Compound in ChEMBL


CHEMBL286398

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
76.1 76.0524 -0.52 1 40.46 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -1.01 -1.01 0 5 0.44

Compound Cross References

ChemSpider ChemSpider:DNIAPMSPPWPWGF-UHFFFAOYSA-N
PubChem SID: 144209010 SID: 144210326 SID: 17389749 SID: 49816670
Wikipedia Propylene_glycol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL286398



ACToR 57-55-6 4254-15-3 25322-69-4 190913-75-8
ChEBI 16997
DrugBank DB01839
eMolecules 479619
Human Metabolome Database HMDB01881
KEGG Ligand C00583
Mcule MCULE-5574440784
MolPort MolPort-001-768-866
Nikkaji J2.210A J1.918F
NMRShiftDB 8115
PubChem 1030
PubChem: Thomson Pharma 15146298
Recon 12ppd_R
SureChEMBL SCHEMBL3535

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