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

CHEMBL5087174

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
CNc1cc(C(=O)N2[C@H]3Cc4ccccc4[C@@H]2CNC3=O)cn(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5087174
Phase Preclinical
Structure Type MOL
InChI Key PDSOPMDVEOLQTR-HOTGVXAUSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
0.66
ALogP
5
HBA
2
HBD
83.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N4O3
MW 352.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.40

Activity Summary

IC50 2 meas. best 4.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ATPase family AAA domain-containing protein 2
CHEMBL2150837
 IC50 4.93 4.915 11800.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ATPase family AAA domain-containing protein 2 IC50 = 11800.0 nM 4.93 Inhibition of GST-ATAD2 BD (951 to 1132 residues) (unknown origin) expressed in ... 35133824
ATPase family AAA domain-containing protein 2 IC50 = 12589.25 nM 4.9 Inhibition of GST-ATAD2 BD (981 to 1108 residues) (unknown origin) expressed in ... 35133824

Literature References

PubMed DOI Target Context # Activities
35133824 10.1021/acs.jmedchem.1c01871 ATPase family AAA domain-containing protein 2 3
35133824 10.1021/acs.jmedchem.1c01871 No relevant target 1

Data from ChEMBL 36 via Core Engine