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

CHEMBL4562525

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
Cc1ccc(C)n1-c1cc(C(=O)NNC(=O)c2cccc(C(=O)O)c2)ccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4562525
Phase Preclinical
Structure Type MOL
InChI Key ZWQHPYIHRWDPDO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.4
MW (Da)
2.57
ALogP
5
HBA
4
HBD
137.7
PSA (Ų)
0.47
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 C22H19N3O6
MW 421.41
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 5.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Myc proto-oncogene protein
CHEMBL1250348
 IC50 5.72 5.72 1890.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Myc proto-oncogene protein IC50 = 1890.0 nM 5.72 Inhibition of human c-Myc assessed as reduction in c-Myc/Max/Ebox DNA complex fo... -

Data from ChEMBL 36 via Core Engine