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Compound Detail

CHEMBL66652

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O=C(NCc1ccc([N+](=O)[O-])cc1)c1cc2cccc(O)c2cc1O

Basic Information

ChEMBL ID CHEMBL66652
Phase Preclinical
Structure Type MOL
InChI Key VIIOGSSUSKLYMF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

338.3
MW (Da)
3.09
ALogP
5
HBA
3
HBD
112.7
PSA (Ų)
0.50
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 C18H14N2O5
MW 338.32
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.88

Activity Summary

IC50 2 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HFF
CHEMBL614071
IC50 5.82 5.82 1500.0 1
DNA polymerase catalytic subunit
CHEMBL4009
IC50 5.42 5.42 3800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine