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Compound Detail

CHEMBL299412

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CC(=O)Nc1cc(Nc2cc(O)nc(O)n2)ccc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL299412
Phase Preclinical
Structure Type MOL
InChI Key IQXXVALDZLENRK-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

274.3
MW (Da)
1.90
ALogP
6
HBA
4
HBD
107.4
PSA (Ų)
0.68
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 C13H14N4O3
MW 274.28
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.59

Activity Summary

Ki 3 meas.

Literature References

PubMed DOI Target Context # Activities
6420570 10.1021/jm00368a013 DNA topoisomerase 3 2
6767030 10.1021/jm00175a007 DNA topoisomerase 3 1

Data from ChEMBL 36 via Core Engine