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Compound Detail

CHEMBL4586997

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Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2c(Cl)ncnc2Cl)ccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4586997
Phase Preclinical
Structure Type MOL
InChI Key SNKGBXPGONRDQR-KTZMUZOWSA-N
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.3
MW (Da)
3.65
ALogP
6
HBA
2
HBD
109.5
PSA (Ų)
0.36
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 C19H15Cl2N5O3
MW 432.27
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.38

Activity Summary

EC50 2 meas.
IC50 1 meas. best 5.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myc proto-oncogene protein
CHEMBL1250348
 IC50 5.31 5.31 4880.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Myc proto-oncogene protein IC50 = 4880.0 nM 5.31 Inhibition of human c-Myc assessed as reduction in c-Myc/Max/Ebox DNA complex fo... -

Data from ChEMBL 36 via Core Engine