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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1079935
CHEMBL1079935
Compound Name AMPEROZIDE
ChEMBL Synonyms Amperozide Hydrochloride | AMPEROZIDE | Amperozide Dihydrochloride
Max Phase 0
Trade Names
Molecular Formula C23H29F2N3O

Additional synonyms for CHEMBL1079935 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c3ccc(F)cc3)CC1
Standard InChI InChI=1S/C23H29F2N3O/c1-2-26-23(29)28-16-14-27(15-17-28)13-3 ...
Download InChI
Standard InChI Key NNAIYOXJNVGUOM-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1079935

Molecule Features

CHEMBL1079935 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov AMPEROZIDE
The Cochrane Collaboration AMPEROZIDE

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 CHEMBL1079935. 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
CHEMBL3943 Histamine H1 receptor Cavia porcellus 0.852
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 0.700
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 0.511
CHEMBL2409 Epoxide hydratase Homo sapiens 0.390
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.314

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1941 Histamine H2 receptor Homo sapiens 0.990
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 0.988
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 0.986
CHEMBL231 Histamine H1 receptor Homo sapiens 0.982
CHEMBL3943 Histamine H1 receptor Cavia porcellus 0.938
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.854
CHEMBL2409 Epoxide hydratase Homo sapiens 0.824
CHEMBL2327 Neurokinin 2 receptor Homo sapiens 0.720
CHEMBL3473 C-C chemokine receptor type 3 Homo sapiens 0.446
CHEMBL264 Histamine H3 receptor Homo sapiens 0.442
CHEMBL249 Neurokinin 1 receptor Homo sapiens 0.225
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.224
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.217

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
401.5 401.2279 4.39 7 35.58 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
- 7.43 4.55 4.31 2 29 0.75

Structural Alerts

There are no structural alerts for CHEMBL1079935

Compound Cross References

ChemSpider ChemSpider:NNAIYOXJNVGUOM-UHFFFAOYSA-N
PubChem SID: 11110766 SID: 50110932 SID: 90340755
Wikipedia Amperozide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1079935



ACToR 75558-90-6
BindingDB 50311786
ChEBI 92913
DrugBank DB08927
DrugCentral 193
EPA CompTox Dashboard DTXSID6048416
FDA SRS 0M2W3TAG39
IBM Patent System 28410757918617626D63A399BC0CC17C
LINCS LSM-3159
Nikkaji J33.893A
PubChem 73333
PubChem: Drugs of the Future 12013735
PubChem: Thomson Pharma 14757127
SureChEMBL SCHEMBL340961
ZINC ZINC000004214849

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