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Compound Detail

CHEMBL294267

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O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2cc1O

Basic Information

ChEMBL ID CHEMBL294267
Phase Preclinical
Structure Type MOL
InChI Key ANHISTOUUYKCMS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.3
MW (Da)
3.71
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12N2O4
MW 308.29
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 4.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA polymerase catalytic subunit
CHEMBL4009
IC50 4.66 4.66 22000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
DNA polymerase catalytic subunit IC50 = 22000.0 nM 4.66 Inhibitory activity against Human Cytomegalovirus (HCMV) polymerase 10999475

Literature References

PubMed DOI Target Context # Activities
10999475 10.1016/s0960-894x(00)00402-9 DNA polymerase catalytic subunit 1

Data from ChEMBL 36 via Core Engine