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Compound Detail

CHEMBL4534386

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Cc1ncc(CO)c(/C=N/NC(=O)c2ccc(C(=O)O)c(-n3c(C)ccc3C)c2)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4534386
Phase Preclinical
Structure Type MOL
InChI Key RSNSUBCZPXJYTD-YSURURNPSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.4
MW (Da)
2.46
ALogP
7
HBA
4
HBD
137.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O5
MW 422.44
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.04

Activity Summary

EC50 1 meas.
IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myc proto-oncogene protein
CHEMBL1250348
 IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Myc proto-oncogene protein IC50 = 1000.0 nM 6.0 Inhibition of human c-Myc assessed as reduction in c-Myc/Max/Ebox DNA complex fo... -

Data from ChEMBL 36 via Core Engine