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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL291233
CHEMBL291233
Compound Name OBIDOXIME CHLORIDE
ChEMBL Synonyms Obidoxime | Obidoxime chloride
Max Phase 0
Trade Names
Molecular Formula C14H16Cl2N4O3

Additional synonyms for CHEMBL291233 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Cl-].[Cl-].O\N=C\c1cc[n+](COC[n+]2ccc(\C=N\O)cc2)cc1
Standard InChI InChI=1S/C14H14N4O3.2ClH/c19-15-9-13-1-5-17(6-2-13)11-21-12- ...
Download InChI
Standard InChI Key ZIFJVJZWVSPZLE-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL291233

Molecule Features

CHEMBL291233 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:Unknown

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 CHEMBL291233. 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
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.957
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.871
CHEMBL4079 G-protein coupled receptor kinase 2 Homo sapiens 0.793
CHEMBL5514 Huntingtin Homo sapiens 0.515
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 0.510
CHEMBL1741176 X-box-binding protein 1 Homo sapiens 0.438
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.430
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.374
CHEMBL4780 Acetylcholinesterase Torpedo californica 0.374
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.237
CHEMBL2219 Protein-tyrosine phosphatase LC-PTP Homo sapiens 0.224
CHEMBL4161 Urease Canavalia ensiformis 0.208



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1741179 Probable DNA dC->dU-editing enzyme APOBEC-3A Homo sapiens 0.999
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.984
CHEMBL1293277 Niemann-Pick C1 protein Homo sapiens 0.980
CHEMBL1741176 X-box-binding protein 1 Homo sapiens 0.972
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.871
CHEMBL5514 Huntingtin Homo sapiens 0.860
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 0.838
CHEMBL4780 Acetylcholinesterase Torpedo californica 0.714
CHEMBL1293226 Lysine-specific demethylase 4D-like Homo sapiens 0.685
CHEMBL220 Acetylcholinesterase Homo sapiens 0.634
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.545
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.504
CHEMBL2392 DNA polymerase beta Homo sapiens 0.478
CHEMBL4078 Acetylcholinesterase Electrophorus electricus 0.473
CHEMBL2635 Dual specificity protein phosphatase 3 Homo sapiens 0.367
CHEMBL2007628 Tyrosine-protein phosphatase non-receptor type 5 Homo sapiens 0.347
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.300
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.264
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.246
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.235

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
288.3 288.1211 0.51 6 82.17 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 7 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.58 - -2.42 -1.77 2 21 0.35

Structural Alerts

There are 10 structural alerts for CHEMBL291233. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZIFJVJZWVSPZLE-UHFFFAOYSA-N
Wikipedia Obidoxime

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL291233



ACToR 114-90-9
eMolecules 25691649
FDA SRS 3HXR312Z9M
PubChem 5359290
PubChem: Thomson Pharma 16428067
SureChEMBL SCHEMBL61163

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