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Compound Detail

CHEMBL16405

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O=C(O)C(=O)/C=C(\O)c1ccc(C2CCCCC2)cc1

Basic Information

ChEMBL ID CHEMBL16405
Phase Preclinical
Structure Type MOL
InChI Key JVAZYWSCAFIAMM-UVTDQMKNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

274.3
MW (Da)
3.29
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18O4
MW 274.32
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.09

Activity Summary

IC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polymerase acidic protein
CHEMBL1169598
IC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12646026 10.1021/jm020334u Polymerase acidic protein 1

Data from ChEMBL 36 via Core Engine