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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL446061
CHEMBL446061
Compound Name TROLAMINE
ChEMBL Synonyms TROLAMINE | MOBISYL [AS SALICYLATE] | TRIETHANOLAMINE
Max Phase 4 (Approved)
Trade Names MOBISYL [AS SALICYLATE]
Molecular Formula C6H15NO3

Additional synonyms for CHEMBL446061 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCCN(CCO)CCO
Standard InChI InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
Standard InChI Key GSEJCLTVZPLZKY-UHFFFAOYSA-N

Sources

  • British National Formulary
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL446061

Molecule Features

CHEMBL446061 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov TROLAMINE
The Cochrane Collaboration TROLAMINE

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
149.2 149.1052 -1.3 6 63.93 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 3 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.77 -.99 -1.57 0 10 0.44

Structural Alerts

There are 1 structural alerts for CHEMBL446061. To view alerts please click here.

Compound Cross References

ATC D - DERMATOLOGICALS
D03 - PREPARATIONS FOR TREATMENT OF WOUNDS AND ULCERS
D03A - CICATRIZANTS
D03AX - Other cicatrizants
D03AX12 - trolamine

ChemSpider ChemSpider:GSEJCLTVZPLZKY-UHFFFAOYSA-N
PubChem SID: 144206717 SID: 144209260 SID: 144210845 SID: 26754496 SID: 29215347
Wikipedia Triethanolamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL446061



ACToR 102-71-6 64114-46-1
Brenda 3368
ChEBI 28621
DrugCentral 2768
eMolecules 484524
EPA CompTox Dashboard DTXSID9021392
FDA SRS 9O3K93S3TK
Human Metabolome Database HMDB32538
IBM Patent System 65A125E03EDD42D0D641E0695BD53BB0
KEGG Ligand C06771
Mcule MCULE-1846755153
Nikkaji J805B
NMRShiftDB 10024503
PDBe 211
PubChem 7618
PubChem: Thomson Pharma 15265002
SureChEMBL SCHEMBL1146
ZINC ZINC000000896409

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