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Compound Detail

CHEMBL16384

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O=c1[nH]c2nccnc2c(=O)n1O

Basic Information

ChEMBL ID CHEMBL16384
Phase Preclinical
Structure Type MOL
InChI Key IDXXPMCEFFCEMO-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

180.1
MW (Da)
-1.28
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H4N4O3
MW 180.12
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.32

Activity Summary

IC50 3 meas. best 4.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polymerase acidic protein
CHEMBL1169598
IC50 4.02 4.02 95000.0 2
unidentified influenza virus
CHEMBL613128
IC50 4.02 4.02 95000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12646026 10.1021/jm020334u Polymerase acidic protein 1
19112024 10.1016/j.bmc.2008.11.075 unidentified influenza virus 1
- 10.1039/C5MD00439J Polymerase acidic protein 1

Data from ChEMBL 36 via Core Engine