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Compound Detail

CHEMBL2402695

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Cc1nn(-c2cccc(F)c2)c2c1c(=O)oc1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2402695
Phase Preclinical
Structure Type MOL
InChI Key MSMLCBPMFDEDIL-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
3.58
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11FN2O2
MW 294.29
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.48

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
23748152 10.1016/j.ejmech.2013.03.042 HeLa 1
23748152 10.1016/j.ejmech.2013.03.042 A549 1
23748152 10.1016/j.ejmech.2013.03.042 DU-145 1

Data from ChEMBL 36 via Core Engine