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Compound Detail

CHEMBL4799982

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O=c1c2cc(O)ccc2[nH]c2c([N+](=O)[O-])ccc(Nc3ccc(O)cc3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4799982
Phase Preclinical
Structure Type MOL
InChI Key DAWWWTBHRLHZSU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

363.3
MW (Da)
3.74
ALogP
6
HBA
4
HBD
128.5
PSA (Ų)
0.19
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13N3O5
MW 363.33
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
33191085 10.1016/j.bmc.2020.115868 DNA topoisomerase 2-alpha 1
33191085 10.1016/j.bmc.2020.115868 HeLa 1
33191085 10.1016/j.bmc.2020.115868 HCT-116 1
33191085 10.1016/j.bmc.2020.115868 SW480 1

Data from ChEMBL 36 via Core Engine