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

CHEMBL5202993

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
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2-c1cnn(C)c1)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202993
Phase Preclinical
Structure Type MOL
InChI Key BICMKOVYASRDEW-VWLOTQADSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

472.5
MW (Da)
2.21
ALogP
10
HBA
1
HBD
117.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20N4O6
MW 472.46
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness 0.36

Activity Summary

IC50 2 meas. best 9.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SW-620
CHEMBL612262
 IC50 9.08 9.08 0.8 1
2008
CHEMBL612818
 IC50 7.65 7.65 22.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SW-620 IC50 = 0.84 nM 9.08 Antiproliferative activity against human SW-620 cells assessed as inhibition of ... 35932565
2008 IC50 = 22.36 nM 7.65 Antiproliferative activity against human 2008 cells assessed as inhibition of ce... 35932565

Literature References

PubMed DOI Target Context # Activities
35932565 10.1016/j.ejmech.2022.114610 2008 1
35932565 10.1016/j.ejmech.2022.114610 SW-620 1

Data from ChEMBL 36 via Core Engine