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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL692
CHEMBL692
Compound Name GLYCERIN
ChEMBL Synonyms E422 | Optim | Glycerin | Glycerol | Osmoglyn | Ophthalgan | Monoctanoin Component D
Max Phase 4 (Approved)
Trade Names Optim | Glycerol | Osmoglyn | Ophthalgan
Molecular Formula C3H8O3

Additional synonyms for CHEMBL692 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCC(O)CO
Standard InChI InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
Standard InChI Key PEDCQBHIVMGVHV-UHFFFAOYSA-N

Molecule Features

CHEMBL692 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

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 CHEMBL692

Alternate Forms of Compound in ChEMBL


CHEMBL692

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
92.1 92.0473 -1.41 2 60.69 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.68 - -1.85 -1.85 0 6 0.39

Compound Cross References

ATC A - ALIMENTARY TRACT AND METABOLISM
A06 - Drugs for constipation
A06A - Drugs for constipation
A06AG - Enemas
A06AG04 - glycerol

A - ALIMENTARY TRACT AND METABOLISM
A06 - Drugs for constipation
A06A - Drugs for constipation
A06AX - Other drugs for constipation
A06AX01 - glycerol

ChemSpider ChemSpider:PEDCQBHIVMGVHV-UHFFFAOYSA-N
PubChem SID: 144204594 SID: 144209275 SID: 17388987 SID: 17389867 SID: 29215106
Wikipedia Glycerol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL692



ACToR 56-81-5 29796-42-7 175385-78-1 8043-29-6
ChEBI 17754
DrugBank DB04077
eMolecules 476493
FDA SRS PDC6A3C0OX
Guide to Pharmacology 5195
Human Metabolome Database HMDB00131
IBM Patent System 4E5A2F716623277956EEF4C01AC9A1D4
KEGG Ligand C00116
Mcule MCULE-6349111826
MolPort MolPort-001-785-853
Nikkaji J1.916J
NMRShiftDB 10005613
PDBe GOL
PharmGKB PA449783
PubChem 753
PubChem: Thomson Pharma 14747384
Recon glyc
SureChEMBL SCHEMBL797
ZINC ZINC00895048

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