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Compound Detail

CHEMBL4560643

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Cc1ccc(C)n1-c1cc(C(=O)N2CCOCC2)ccc1C(=O)O

Basic Information

ChEMBL ID CHEMBL4560643
Phase Preclinical
Structure Type MOL
InChI Key JHKUFGFDCKLUCV-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
2.26
ALogP
4
HBA
1
HBD
71.8
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2O4
MW 328.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.34

Activity Summary

EC50 1 meas.
IC50 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myc proto-oncogene protein
CHEMBL1250348
IC50 5.07 5.07 8580.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Myc proto-oncogene protein IC50 = 8580.0 nM 5.07 Inhibition of human c-Myc assessed as reduction in c-Myc/Max/Ebox DNA complex fo... -

Data from ChEMBL 36 via Core Engine