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

CHEMBL5270167

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
CC1(C)CN(C(N)=O)c2ccccc2N1Cc1ccc(COc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5270167
Phase Preclinical
Structure Type MOL
InChI Key DAAPZPYCMPIUPQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
4.95
ALogP
3
HBA
1
HBD
58.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N3O2
MW 401.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.56

Activity Summary

IC50 2 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
AMP deaminase 2
CHEMBL2997
 IC50 6.96 6.27 110.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
AMP deaminase 2 IC50 = 110.0 nM 6.96 Inhibition of recombinant human AMPD2 using AMP as substrate preincubated for 30... 36563792
AMP deaminase 2 IC50 = 2600.0 nM 5.58 Inhibition of recombinant human AMPD2 using AMP as substrate incubated for 30 mi... 36563792

Literature References

PubMed DOI Target Context # Activities
36563792 10.1016/j.bmcl.2022.129110 AMP deaminase 2 3

Data from ChEMBL 36 via Core Engine