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Compound Detail

CHEMBL3613694

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NC(=O)c1cnc2ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc2c1Nc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3613694
Phase Preclinical
Structure Type MOL
InChI Key BEOYHSBSNOBQLF-KGVSQERTSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

462.3
MW (Da)
6.28
ALogP
4
HBA
2
HBD
85.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H17Cl2N3O2
MW 462.34
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.88

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26256032 10.1016/j.ejmech.2015.07.030 MCF7 1
26256032 10.1016/j.ejmech.2015.07.030 Epidermal growth factor receptor 1
26256032 10.1016/j.ejmech.2015.07.030 Cyclin-dependent kinase 2 1

Data from ChEMBL 36 via Core Engine