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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL482767
CHEMBL482767
Compound Name SNS-314
ChEMBL Synonyms SNS-314
Max Phase 1
Trade Names
Molecular Formula C18H15ClN6OS2

Additional synonyms for CHEMBL482767 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=Nc1cccc(Cl)c1)Nc2ncc(CCN=C3NC=Nc4ccsc34)s2
Standard InChI InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-2 ...
Download InChI
Standard InChI Key FAYAUAZLLLJJGH-UHFFFAOYSA-N

Sources

  • Clinical Candidates
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL482767

Molecule Features

CHEMBL482767 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

Mechanism of Action

Mechanism of Action ChEMBL Target References
Serine/threonine-protein kinase Aurora inhibitor Serine/threonine-protein kinase Aurora PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
NEOPLASMSD009369EFO:0000616NEOPLASM1ClinicalTrials

Clinical Data

ClinicalTrials.gov SNS-314
The Cochrane Collaboration SNS-314

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 CHEMBL482767. 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
CHEMBL5819 Serine/threonine-protein kinase Nek4 Homo sapiens 0.991
CHEMBL5719 Cell division protein kinase 8 Homo sapiens 0.967
CHEMBL3357 Interleukin-1 receptor-associated kinase 1 Homo sapiens 0.677
CHEMBL5122 Discoidin domain-containing receptor 2 Homo sapiens 0.574
CHEMBL5608 NT-3 growth factor receptor Homo sapiens 0.273
CHEMBL2068 Ephrin type-A receptor 2 Homo sapiens 0.258
CHEMBL4223 Tyrosine-protein kinase FRK Homo sapiens 0.211



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL6002 Cell division cycle 2-like protein kinase 6 Homo sapiens 0.999
CHEMBL3886 Mixed lineage kinase 7 Homo sapiens 0.406
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.393
CHEMBL4803 Nitric-oxide synthase, endothelial Homo sapiens 0.333
CHEMBL4223 Tyrosine-protein kinase FRK Homo sapiens 0.203

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
430.9 430.0437 3.91 6 150.74 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 3 0 7 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.55 3.98 2.68 3 28 0.4

Structural Alerts

There are 3 structural alerts for CHEMBL482767. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FAYAUAZLLLJJGH-UHFFFAOYSA-N
PubChem SID: 103905586 SID: 124950687

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL482767



BindingDB 26326
ChEBI 94720
DrugBank DB07361
eMolecules 31507552
EPA CompTox Dashboard DTXSID20147269
FDA SRS 802IFJ0Z8X
Guide to Pharmacology 9397
IBM Patent System 9ECA2ABBABB8EDEA281572D116D2DFF3
LINCS LSM-5795
PDBe AK2
PubChem 24995524
SureChEMBL SCHEMBL3415843
ZINC ZINC000040393428

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