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Compound Detail

CHEMBL3263563

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O=C1/C(=C/c2ccc3[nH]cnc3c2)Oc2cc(O)cc(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3263563
Phase Preclinical
Structure Type MOL
InChI Key APDAIQYCIUNGOV-CPSFFCFKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
2.59
ALogP
5
HBA
3
HBD
95.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10N2O4
MW 294.27
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.22

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 10000.0 nM 5.0 Inhibition of HCV J4 genotype 1b NS5Bdelta21 polymerase using homopolymeric RNA ... 24835816

Literature References

PubMed DOI Target Context # Activities
24835816 10.1016/j.ejmech.2014.04.005 Unchecked 2

Data from ChEMBL 36 via Core Engine