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

CHEMBL5191443

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-c1ccc(CO)cc1)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5191443
Phase Preclinical
Structure Type MOL
InChI Key QGUYVTWYUBIPFZ-NDEPHWFRSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

498.5
MW (Da)
2.97
ALogP
9
HBA
2
HBD
120.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H22N2O7
MW 498.49
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness 0.87

Activity Summary

IC50 2 meas. best 9.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SW-620
CHEMBL612262
 IC50 9.55 9.55 0.3 1
2008
CHEMBL612818
 IC50 8.12 8.12 7.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SW-620 IC50 = 0.28 nM 9.55 Antiproliferative activity against human SW-620 cells assessed as inhibition of ... 35932565
2008 IC50 = 7.67 nM 8.12 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