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Compound Detail

CHEMBL54362

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CCCCc1ccc(Nc2cc(O)nc(O)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL54362
Phase Preclinical
Structure Type MOL
InChI Key XIKQUZTWHPFJKG-UHFFFAOYSA-N
0
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
2.97
ALogP
5
HBA
3
HBD
78.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17N3O2
MW 259.31
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.81

Activity Summary

Ki 4 meas.
IC50 1 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
10395474 10.1021/jm980718d Uracil-DNA glycosylase 1

Data from ChEMBL 36 via Core Engine