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Compound Detail

CHEMBL2312898

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COc1ccc2c(c1)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCN=[N+]=[N-])C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2312898
Phase Preclinical
Structure Type MOL
InChI Key BDVSBDHYOYIIKX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

405.4
MW (Da)
3.83
ALogP
7
HBA
0
HBD
140.2
PSA (Ų)
0.12
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N5O5
MW 405.37
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
23259865 10.1021/jm3014458 DNA topoisomerase 1 1
23259865 10.1021/jm3014458 Tyrosyl-DNA phosphodiesterase 1 1

Data from ChEMBL 36 via Core Engine