Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4534256

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ncc(/C=N/NC(=O)c2ccc(C(=O)O)c(-n3c(C)ccc3C)c2)c(OC)n1

Basic Information

ChEMBL ID CHEMBL4534256
Phase Preclinical
Structure Type MOL
InChI Key QNDVNHOVGGCOBP-FOKLQQMPSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

423.4
MW (Da)
2.36
ALogP
8
HBA
2
HBD
127.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N5O5
MW 423.43
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.40

Activity Summary

EC50 1 meas.
IC50 1 meas. best 5.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myc proto-oncogene protein
CHEMBL1250348
IC50 5.12 5.12 7670.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Myc proto-oncogene protein IC50 = 7670.0 nM 5.12 Inhibition of human c-Myc assessed as reduction in c-Myc/Max/Ebox DNA complex fo... -

Data from ChEMBL 36 via Core Engine