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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1651534
CHEMBL1651534
Compound Name
ChEMBL Synonyms PF-04457845
Max Phase 0
Trade Names
Molecular Formula C23H20F3N5O2

Additional synonyms for CHEMBL1651534 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES FC(F)(F)c1ccc(Oc2cccc(C=C3CCN(CC3)C(=O)Nc4cccnn4)c2)nc1
Standard InChI InChI=1S/C23H20F3N5O2/c24-23(25,26)18-6-7-21(27-15-18)33-19- ...
Download InChI
Standard InChI Key BATCTBJIJJEPHM-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1651534

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
455.4 455.1569 4.37 5 80.23 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.72 3.98 3.06 3.06 3 33 0.62

Structural Alerts

There are no structural alerts for CHEMBL1651534

Compound Cross References

ChemSpider ChemSpider:BATCTBJIJJEPHM-UHFFFAOYSA-N
Wikipedia PF-04457845

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1651534



BindingDB 50335377
Brenda 205550
DrugBank DB12012
EPA CompTox Dashboard DTXSID00144539
FDA SRS H4C81M8YYW
Guide to Pharmacology 6694
IBM Patent System 19E70146265DCA622F10A8C3B85667E8
PubChem 24771824
PubChem: Thomson Pharma 49693786
SureChEMBL SCHEMBL1010408
ZINC ZINC000066111849

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