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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1257106
CHEMBL1257106
Compound Name AMPEROZIDE HYDROCHLORIDE
ChEMBL Synonyms Amperozide Hydrochloride
Max Phase 0
Trade Names
Molecular Formula C23H30ClF2N3O

Additional synonyms for CHEMBL1257106 found using NCI Chemical Identifier Resolver

Compound Representations

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

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1257106

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 CHEMBL1257106. 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 CHEMBL1257106

Compound Cross References

ChemSpider ChemSpider:OEQHKNWFXHBJIT-UHFFFAOYSA-N
PubChem SID: 144204759 SID: 170466525 SID: 50105761 SID: 56463327

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1257106



ACToR 75529-73-6
eMolecules 10233031
EPA CompTox Dashboard DTXSID5045750
FDA SRS 8V2171U69N
MolPort MolPort-003-983-867
PubChem 73334 50986842
PubChem: Thomson Pharma 123071894
SureChEMBL SCHEMBL17360644 SCHEMBL1321270

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