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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1697733
CHEMBL1697733
Compound Name ACETYLCARNITINE
ChEMBL Synonyms NICETILE | Acetyl-L-Carnitine | ACETYLCARNITINE
Max Phase 4 (Approved)
Trade Names NICETILE
Molecular Formula C9H17NO4

Additional synonyms for CHEMBL1697733 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
Standard InChI InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H ...
Download InChI
Standard InChI Key RDHQFKQIGNGIED-MRVPVSSYSA-N

Sources

  • British National Formulary
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1697733

Molecule Features

CHEMBL1697733 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available PubMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
FatigueD0052213ClinicalTrials
Peripheral Nervous System DiseasesD010523EFO:0004149neuropathy3ClinicalTrials
Shock, SepticD012772EFO:0006834septic shock1ClinicalTrials
Bipolar DisorderD001714EFO:0000289bipolar disorder2ClinicalTrials
Carcinoma, Non-Small-Cell LungD002289EFO:0003060non-small cell lung carcinoma3ClinicalTrials
Sleep Initiation and Maintenance DisordersD007319EFO:0004698insomnia3ClinicalTrials
Diabetes Mellitus, Type 2D003924EFO:0001360type II diabetes mellitus2ClinicalTrials

Clinical Data

ClinicalTrials.gov ACETYLCARNITINE
The Cochrane Collaboration ACETYLCARNITINE

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
203.2 203.1158 -1.24 5 66.43 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.56 - -4.03 -3.43 0 14 0.41

Structural Alerts

There are 3 structural alerts for CHEMBL1697733. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N06 - PSYCHOANALEPTICS
N06B - PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
N06BX - Other psychostimulants and nootropics
N06BX12 - acetylcarnitine

ChemSpider ChemSpider:RDHQFKQIGNGIED-MRVPVSSYSA-N
Wikipedia Acetylcarnitine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1697733



ACToR 3040-38-8
Brenda 21941 13322 109733
ChEBI 57589
DrugBank DB08842
DrugCentral 64
EPA CompTox Dashboard DTXSID1040956
FDA SRS 6DH1W9VH8Q
Human Metabolome Database HMDB0000201
IBM Patent System FEC9ECC37EFD1FB455FEB4D803C9D291
LipidMaps LMFA07070050
Metabolights MTBLC57589
PubChem 7045767
PubChem: Thomson Pharma 15171754 15171753
Recon acrn
Rhea 57589
SureChEMBL SCHEMBL118455

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