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Compound Detail

CHEMBL117759

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O=C1c2ccccc2C2=Nc3ccncc3CN12

Basic Information

ChEMBL ID CHEMBL117759
Phase Preclinical
Structure Type MOL
InChI Key KIFUBCRGDIHAKS-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

235.2
MW (Da)
2.13
ALogP
3
HBA
0
HBD
45.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9N3O
MW 235.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.16

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
7932571 10.1021/jm00046a028 CCRF-CEM 1
7932571 10.1021/jm00046a028 DNA topoisomerase 2-beta 1
7932571 10.1021/jm00046a028 Rattus norvegicus 1
7932571 10.1021/jm00046a028 ADMET 1

Data from ChEMBL 36 via Core Engine