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Compound Detail

CHEMBL4584499

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Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2ccc(F)c(F)c2)ccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4584499
Phase Preclinical
Structure Type MOL
InChI Key HAVXXVSUMXEJHH-BHGWPJFGSA-N
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
3.83
ALogP
4
HBA
2
HBD
83.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17F2N3O3
MW 397.38
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.75

Activity Summary

EC50 2 meas.
IC50 1 meas. best 5.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myc proto-oncogene protein
CHEMBL1250348
 IC50 5.32 5.32 4820.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Myc proto-oncogene protein IC50 = 4820.0 nM 5.32 Inhibition of human c-Myc assessed as reduction in c-Myc/Max/Ebox DNA complex fo... -

Data from ChEMBL 36 via Core Engine