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

CHEMBL5202290

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
COc1ccc(O)cc1/C=N/NC(=O)c1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202290
Phase Preclinical
Structure Type MOL
InChI Key AVSAPRFBZLGBOW-DHRITJCHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
4.32
ALogP
5
HBA
3
HBD
99.6
PSA (Ų)
0.33
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N4O3
MW 414.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.15

Activity Summary

IC50 1 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.1 5.1 8000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 8000.0 nM 5.1 Inhibition of baker's yeast alpha-glucosidase using PNPG as substrate preincubat... 35367706

Literature References

PubMed DOI Target Context # Activities
35367706 10.1016/j.ejmech.2022.114282 Unchecked 1

Data from ChEMBL 36 via Core Engine