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Compound Detail

CHEMBL53162

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Cc1ccc(Nc2cc(O)nc(O)n2)cc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL53162
Phase Preclinical
Structure Type MOL
InChI Key YLRWGIWEDANUJY-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

232.2
MW (Da)
1.52
ALogP
6
HBA
4
HBD
104.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12N4O2
MW 232.24
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.16

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 topoisomerase 3 1
6767030 10.1021/jm00175a007 DNA polymerase III PolC-type 1

Data from ChEMBL 36 via Core Engine