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Compound Detail

CHEMBL140955

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COc1ccc2[nH]c(C(=O)c3cccc([N+](=O)[O-])c3C)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL140955
Phase Preclinical
Structure Type MOL
InChI Key DBFWCTWFWCTPDA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

310.3
MW (Da)
3.62
ALogP
4
HBA
1
HBD
85.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N2O4
MW 310.31
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
11741473 10.1021/jm010940+ Tubulin beta chain 1
11741473 10.1021/jm010940+ HeLa 1
11741473 10.1021/jm010940+ SK-OV-3 1

Data from ChEMBL 36 via Core Engine