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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL64894
CHEMBL64894
Compound Name GENTIAN VIOLET
ChEMBL Synonyms Pyoktanin | Genapax | Viocid | GV 11 | GNF-Pf-880 | Methyl Violet | Crystal Violet | Gentian Violet | Methylrosaniline Cl | Methylrosanilinium Cl | Methylrosaniline Chloride | Methylrosanilinium Chloride
Max Phase 4 (Approved)
Trade Names GV 11 | Genapax | Methylrosaniline Cl | Methylrosanilinium Cl | Pyoktanin | Viocid
Molecular Formula C25H30ClN3

Additional synonyms for CHEMBL64894 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C) ...
Download SMILES
Standard InChI InChI=1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15- ...
Download InChI
Standard InChI Key ZXJXZNDDNMQXFV-UHFFFAOYSA-M

Mechanism of Action

Mechanism of Action ChEMBL Target References
DNA inhibitor DNA PubMed PubMed

Molecule Features

CHEMBL64894 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Discontinued

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 5 structural alerts for CHEMBL64894. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL64894

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 CHEMBL64894. 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
CHEMBL2487 Beta amyloid A4 protein Homo sapiens 1.000
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.944
CHEMBL3638 RAS guanyl releasing protein 3 Homo sapiens 0.871
CHEMBL1287628 NADPH oxidase 1 Homo sapiens 0.661
CHEMBL2567 Protein kinase C alpha Mus musculus 0.651
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.618
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.496
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.438
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.430
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.411
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.392
CHEMBL5514 Huntingtin Homo sapiens 0.303



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL6152 Alpha-synuclein Homo sapiens 1.000
CHEMBL2487 Beta amyloid A4 protein Homo sapiens 0.999
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.932
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.866
CHEMBL2623 Acyl coenzyme A:cholesterol acyltransferase Oryctolagus cuniculus 0.820
CHEMBL3638 RAS guanyl releasing protein 3 Homo sapiens 0.817
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.664
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.653
CHEMBL1287628 NADPH oxidase 1 Homo sapiens 0.551
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.447
CHEMBL3467 P-glycoprotein 1 Mus musculus 0.428
CHEMBL2567 Protein kinase C alpha Mus musculus 0.411
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.372
CHEMBL5804 Toll-like receptor 9 Homo sapiens 0.347
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.331
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.309
CHEMBL5567 Luciferin 4-monooxygenase Photinus pyralis 0.269
CHEMBL3004 Multidrug resistance-associated protein 1 Homo sapiens 0.242

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
372.5 372.244 4.92 4 9.49 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.8 9.63 .79 -1.39 2 28 0.71

Compound Cross References

ChemSpider ChemSpider:ZXJXZNDDNMQXFV-UHFFFAOYSA-M
PubChem SID: 144204635 SID: 144208960 SID: 144210888 SID: 170464787 SID: 17389869 SID: 26748060 SID: 26752909 SID: 538591
Wikipedia Crystal_violet Methyl_violet

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL64894



ACToR 23355-47-7 548-62-9
ChEBI 41688
eMolecules 487689
FDA SRS J4Z741D6O5
Mcule MCULE-6095016251
MolPort MolPort-001-783-921
PubChem 23424024 11057
PubChem: Thomson Pharma 14781713 14928660
Selleck Crystal-violet
SureChEMBL SCHEMBL9171

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