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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL279867
CHEMBL279867
Compound Name PANADIPLON
ChEMBL Synonyms U-78875 | FG-10571 | Panadiplon
Max Phase 0
Trade Names
Molecular Formula C18H17N5O2

Additional synonyms for CHEMBL279867 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)N1C(=O)c2c(ncn2c3ccccc13)c4noc(n4)C5CC5
Standard InChI InChI=1S/C18H17N5O2/c1-10(2)23-13-6-4-3-5-12(13)22-9-19-14(1 ...
Download InChI
Standard InChI Key ZGEGOFCLSWVVKG-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL279867

Molecule Features

CHEMBL279867 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 PANADIPLON
The Cochrane Collaboration PANADIPLON

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 CHEMBL279867. 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.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1772929 HTH-type transcriptional regulator EthR Mycobacterium tuberculosis 0.922

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
335.4 335.1382 2.52 3 77.05 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 7 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.76 2.76 3 25 0.74

Structural Alerts

There are no structural alerts for CHEMBL279867

Compound Cross References

ChemSpider ChemSpider:ZGEGOFCLSWVVKG-UHFFFAOYSA-N
Wikipedia Panadiplon

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL279867



ACToR 124423-84-3
BindingDB 50048837
EPA CompTox Dashboard DTXSID40869698
FDA SRS V4PW0S7ZP7
IBM Patent System F5523F42D8DD8745A8A5D1BFDD390C34
Nikkaji J371.862J
PubChem 3033821
PubChem: Drugs of the Future 24714741
PubChem: Thomson Pharma 14851216
SureChEMBL SCHEMBL123304
ZINC ZINC000000004220

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