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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106179
CHEMBL2106179
Compound Name FASORACETAM
ChEMBL Synonyms FASORACETAM
Max Phase 1
Trade Names
Molecular Formula C10H16N2O2

Additional synonyms for CHEMBL2106179 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C([C@H]1CCC(=O)N1)N2CCCCC2
Standard InChI InChI=1S/C10H16N2O2/c13-9-5-4-8(11-9)10(14)12-6-2-1-3-7-12/h ...
Download InChI
Standard InChI Key GOWRRBABHQUJMX-MRVPVSSYSA-N

Sources

  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2106179

Molecule Features

CHEMBL2106179 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov FASORACETAM
The Cochrane Collaboration FASORACETAM

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2106179. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL3600274 Thyrotropin-releasing hormone receptor 2 Mus musculus 1.000
CHEMBL4653 Dipeptidyl peptidase IV Rattus norvegicus 0.998
CHEMBL3310 Histone deacetylase 11 Homo sapiens 0.997
CHEMBL3202 Prolyl endopeptidase Homo sapiens 0.996
CHEMBL5103 Histone deacetylase 10 Homo sapiens 0.968
CHEMBL4035 Prolyl endopeptidase Rattus norvegicus 0.960
CHEMBL284 Dipeptidyl peptidase IV Homo sapiens 0.958
CHEMBL264 Histamine H3 receptor Homo sapiens 0.840
CHEMBL3105 Poly [ADP-ribose] polymerase-1 Homo sapiens 0.760
CHEMBL5853 Diacylglycerol O-acyltransferase 2 Homo sapiens 0.722
CHEMBL4683 Fibroblast activation protein alpha Homo sapiens 0.647
CHEMBL5517 Secreted frizzled-related protein 1 Homo sapiens 0.497
CHEMBL5200 C-X-C chemokine receptor type 3 Mus musculus 0.478
CHEMBL2461 Prolyl endopeptidase Sus scrofa 0.358
CHEMBL3976 Dipeptidyl peptidase II Homo sapiens 0.321



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2467 Thyrotropin-releasing hormone receptor Mus musculus 1.000
CHEMBL3600274 Thyrotropin-releasing hormone receptor 2 Mus musculus 1.000
CHEMBL4653 Dipeptidyl peptidase IV Rattus norvegicus 0.998
CHEMBL3310 Histone deacetylase 11 Homo sapiens 0.968
CHEMBL284 Dipeptidyl peptidase IV Homo sapiens 0.946
CHEMBL4035 Prolyl endopeptidase Rattus norvegicus 0.940
CHEMBL5103 Histone deacetylase 10 Homo sapiens 0.887
CHEMBL3202 Prolyl endopeptidase Homo sapiens 0.839
CHEMBL3976 Dipeptidyl peptidase II Homo sapiens 0.820
CHEMBL4683 Fibroblast activation protein alpha Homo sapiens 0.790
CHEMBL3105 Poly [ADP-ribose] polymerase-1 Homo sapiens 0.736
CHEMBL4657 Dipeptidyl peptidase VIII Homo sapiens 0.704
CHEMBL5853 Diacylglycerol O-acyltransferase 2 Homo sapiens 0.680
CHEMBL264 Histamine H3 receptor Homo sapiens 0.671
CHEMBL6079 Proto-oncogene protein Wnt-3 Homo sapiens 0.396
CHEMBL5517 Secreted frizzled-related protein 1 Homo sapiens 0.300
CHEMBL2461 Prolyl endopeptidase Sus scrofa 0.248
CHEMBL5200 C-X-C chemokine receptor type 3 Mus musculus 0.238
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.228

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
196.3 196.1212 0.28 1 49.41 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -.58 -.58 0 14 0.65

Structural Alerts

There are no structural alerts for CHEMBL2106179

Compound Cross References

ChemSpider ChemSpider:GOWRRBABHQUJMX-MRVPVSSYSA-N
PubChem SID: 144206891

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106179



ACToR 110958-19-5
ChEBI 31592
ChemicalBook CB9874756
EPA CompTox Dashboard DTXSID9048855
FDA SRS 42O8UF5CJB
IBM Patent System B7209D51D57B5DA54D5BBA2DAF51A89C
KEGG Ligand C13311
MolPort MolPort-038-496-064
Nikkaji J875.806I
PubChem 198695
PubChem: Drugs of the Future 12014101
PubChem: Thomson Pharma 14748620 15120899
SureChEMBL SCHEMBL194770
ZINC ZINC000003779713

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