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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL381055
CHEMBL381055
Compound Name
ChEMBL Synonyms ADX-47273
Max Phase 0
Trade Names
Molecular Formula C20H17F2N3O2

Additional synonyms for CHEMBL381055 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cc1)C(=O)N2CCC[C@@H](C2)c3onc(n3)c4ccc(F)cc4
Standard InChI InChI=1S/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18 ...
Download InChI
Standard InChI Key VXQCCZHCFBHTTD-HNNXBMFYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL381055

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
369.4 369.1289 3.58 3 59.23 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.64 3.64 3 27 0.71

Structural Alerts

There are no structural alerts for CHEMBL381055

Compound Cross References

ChemSpider ChemSpider:VXQCCZHCFBHTTD-HNNXBMFYSA-N
Wikipedia ADX-47273

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL381055



BindingDB 50187649
EPA CompTox Dashboard DTXSID80234386
FDA SRS 4C4P7L0W63
Guide to Pharmacology 1420
IBM Patent System 49EF7D8F2DE8A14996A6A078DA477352
MolPort MolPort-023-219-194
Nikkaji J2.897.723I
PubChem 11383075
PubChem: Drugs of the Future 99431602
PubChem: Thomson Pharma 16477027
Selleck adx-47273
SureChEMBL SCHEMBL193680
ZINC ZINC000009576498

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