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Compound Detail

CHEMBL4443373

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COc1ccc2nc3cc(Cl)ccc3c(Cl)c2c1

Basic Information

ChEMBL ID CHEMBL4443373
Phase Preclinical
Structure Type MOL
InChI Key RYRNQWYNHLLOGX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

278.1
MW (Da)
4.70
ALogP
2
HBA
0
HBD
22.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9Cl2NO
MW 278.14
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.81

Literature References

PubMed DOI Target Context # Activities
31635931 10.1016/j.bmcl.2019.126714 CCRF-CEM 1
31635931 10.1016/j.bmcl.2019.126714 K562 1
31635931 10.1016/j.bmcl.2019.126714 U-937 1
32738410 10.1016/j.ejmech.2020.112658 DNA excision repair protein ERCC-1/DNA repair endonuclease XPF 1

Data from ChEMBL 36 via Core Engine