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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL485250
CHEMBL485250
Compound Name NORWOGONIN
ChEMBL Synonyms NSC-128304
Max Phase 0
Trade Names
Molecular Formula C15H10O5

Additional synonyms for CHEMBL485250 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cc(O)c2C(=O)C=C(Oc2c1O)c3ccccc3
Standard InChI InChI=1S/C15H10O5/c16-9-6-11(18)14(19)15-13(9)10(17)7-12(20- ...
Download InChI
Standard InChI Key ZFKKRRMUPBBYRS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL485250

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
270.2 270.0528 2.58 1 90.9 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.66 - 2.15 1.19 3 20 0.47

Structural Alerts

There are 11 structural alerts for CHEMBL485250. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZFKKRRMUPBBYRS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL485250



ACToR 4443-09-8
ChEBI 7642
eMolecules 737425
EPA CompTox Dashboard DTXSID20196171
FDA SRS 70U0WT21IB
Human Metabolome Database HMDB0130170
IBM Patent System DE4DBD115CA81E99BFC244AD59561347
KEGG Ligand C10113
LipidMaps LMPK12111329
Mcule MCULE-7196250903
Metabolights MTBLC7642
MolPort MolPort-004-960-042
Nikkaji J126.069C
PubChem 5281674
PubChem: Thomson Pharma 14799262
SureChEMBL SCHEMBL760431
ZINC ZINC000005934539

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