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Compound Detail

CHEMBL3613687

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Cc1ccc(Nc2c(C(N)=O)cnc3ccc(S(=O)(=O)Nc4cc(C)on4)cc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3613687
Phase Preclinical
Structure Type MOL
InChI Key BJHQBSGKSOZXEX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
3.48
ALogP
7
HBA
3
HBD
140.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N5O4S
MW 437.48
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -2.01

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