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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2105340
CHEMBL2105340
Compound Name PYRVINIUM CHLORIDE
ChEMBL Synonyms Pyrvinium Chloride
Max Phase 0
Trade Names
Molecular Formula C26H28ClN3

Additional synonyms for CHEMBL2105340 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].CN(C)c1ccc2c(ccc(\C=C\c3cc(C)n(c3C)c4ccccc4)[n+]2C)c1
Standard InChI InChI=1S/C26H28N3.ClH/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-2 ...
Download InChI
Standard InChI Key IKUGNXPCGVYRHO-UHFFFAOYSA-M

Molecule Features

CHEMBL2105340 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Structural Alerts

There are 4 structural alerts for CHEMBL2105340. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL2105340

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2105340. 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
CHEMBL1075322 G-protein coupled receptor 55 Homo sapiens 0.999
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.995
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.974
CHEMBL1075051 Dihydrofolate reductase Bos taurus 0.911
CHEMBL1981 Insulin receptor Homo sapiens 0.897
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.753
CHEMBL5514 Huntingtin Homo sapiens 0.664
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.559
CHEMBL1963 Thyroid stimulating hormone receptor Homo sapiens 0.518
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.500
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.269
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.206



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1075051 Dihydrofolate reductase Bos taurus 0.986
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.951
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.929
CHEMBL5514 Huntingtin Homo sapiens 0.903
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.897
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.818
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.770
CHEMBL1293266 Nucleotide-binding oligomerization domain-containing protein 2 Homo sapiens 0.740
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.625
CHEMBL3880 Heat shock protein HSP 90-alpha Homo sapiens 0.490
CHEMBL1075322 G-protein coupled receptor 55 Homo sapiens 0.451
CHEMBL3411 Prenyl protein specific protease Homo sapiens 0.437
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.432
CHEMBL1293255 15-hydroxyprostaglandin dehydrogenase [NAD+] Homo sapiens 0.235

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
382.5 382.2283 6.24 4 12.05 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 1 3 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.47 1.51 1.51 4 29 0.38

Compound Cross References

ChemSpider ChemSpider:IKUGNXPCGVYRHO-UHFFFAOYSA-M

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2105340



ACToR 548-84-5
FDA SRS MT7O310S39
PubChem 6433474 22525
PubChem: Thomson Pharma 15006545
SureChEMBL SCHEMBL646419

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