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Compound Detail

CHEMBL4760503

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Cc1cc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4760503
Phase Preclinical
Structure Type MOL
InChI Key JOPQTZKENOKTRK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

543.8
MW (Da)
4.83
ALogP
4
HBA
0
HBD
63.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H4Br4N2O3
MW 543.79
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
33065442 10.1016/j.bmc.2020.115674 HCT-116 1
33065442 10.1016/j.bmc.2020.115674 MCF7 1
33065442 10.1016/j.bmc.2020.115674 HepG2 1

Data from ChEMBL 36 via Core Engine