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Compound Detail

CHEMBL298559

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OCc1ccc(Nc2cc(O)nc(O)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL298559
Phase Preclinical
Structure Type MOL
InChI Key QKDORVFCBPFVTD-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

233.2
MW (Da)
1.12
ALogP
6
HBA
4
HBD
98.5
PSA (Ų)
0.63
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 C11H11N3O3
MW 233.23
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.71

Activity Summary

Ki 4 meas.

Literature References

PubMed DOI Target Context # Activities
6420570 10.1021/jm00368a013 DNA topoisomerase 3 2
6767030 10.1021/jm00175a007 DNA polymerase III PolC-type 2
6767030 10.1021/jm00175a007 DNA topoisomerase 3 1

Data from ChEMBL 36 via Core Engine