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Compound Detail

CHEMBL16233

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O=C(c1ccccc1)c1c(O)n(O)c2cc(NC(=O)C3CCCCC3)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL16233
Phase Preclinical
Structure Type MOL
InChI Key KTBZMJNRBAMQEU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
4.33
ALogP
5
HBA
3
HBD
91.6
PSA (Ų)
0.47
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 C22H22N2O4
MW 378.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.81

Activity Summary

IC50 1 meas. best 4.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polymerase acidic protein
CHEMBL1169598
 IC50 4.75 4.75 18000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polymerase acidic protein IC50 = 18000.0 nM 4.75 Inhibitory concentration against cap-dependent endonuclease activity of influenz... 12646026

Literature References

PubMed DOI Target Context # Activities
12646026 10.1021/jm020334u Polymerase acidic protein 2
12646026 10.1021/jm020334u unidentified influenza virus 1

Data from ChEMBL 36 via Core Engine