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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1507844
CHEMBL1507844
Compound Name FLINDERSINE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H13NO2

Additional synonyms for CHEMBL1507844 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1(C)Oc2c(C=C1)c(O)nc3ccccc23
Standard InChI InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15 ...
Download InChI
Standard InChI Key PXNMNABLQWUMCX-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1507844

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
227.3 227.0946 3.12 0 42.35 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.8 3.74 3.41 2 17 0.75

Structural Alerts

There are no structural alerts for CHEMBL1507844

Compound Cross References

ChemSpider ChemSpider:PXNMNABLQWUMCX-UHFFFAOYSA-N
PubChem SID: 843925

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1507844



ACToR 523-64-8
ChEBI 5094
eMolecules 1235352
EPA CompTox Dashboard DTXSID80200324
FDA SRS 6A8PD12CKP
IBM Patent System A082556D71911898A493763E883741D7
KEGG Ligand C10679
Mcule MCULE-7745509945
Nikkaji J11.708K
NMRShiftDB 30001542
PubChem 68230
PubChem: Thomson Pharma 15245334
SureChEMBL SCHEMBL3125149
ZINC ZINC000008579393

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