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Compound Detail

CHEMBL3103968

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O=C(/C=C/c1ccccc1Cl)Nc1ccc2c(c1)N(O)C(=O)/C2=C(\O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3103968
Phase Preclinical
Structure Type MOL
InChI Key SDVVTNQPXLQDHN-YCMUPVKYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

432.9
MW (Da)
5.15
ALogP
4
HBA
3
HBD
89.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H17ClN2O4
MW 432.86
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 5.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.02 5.02 9549.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 9549.93 nM 5.02 Inhibition of influenza A virus RNA-dependent RNA polymerase subunit PA endonucl... 24365156

Literature References

PubMed DOI Target Context # Activities
24365156 10.1016/j.bmcl.2013.12.026 Unchecked 1

Data from ChEMBL 36 via Core Engine