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

CHEMBL107416

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(-c2scnc2-c2cc(OC)c(OC)c(OC)c2)cc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL107416
Phase Preclinical
Structure Type MOL
InChI Key RMMPIHBMKPNINY-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
4.09
ALogP
7
HBA
1
HBD
75.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N2O4S
MW 372.45
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.36

Activity Summary

IC50 2 meas. best 7.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Colon 26
CHEMBL614466
 IC50 7.84 7.84 14.5 1
Tubulin
CHEMBL2094134
 IC50 5.52 5.52 3000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Colon 26 IC50 = 14.5 nM 7.84 In vitro cytotoxicity against colon 26 adenocarcinoma cell line was evaluated. 9873694
Tubulin IC50 = 3000.0 nM 5.52 Tubulin polymerization inhibitory activity using bovine brain tubulin 9873694

Literature References

PubMed DOI Target Context # Activities
9873694 10.1016/s0960-894x(98)00579-4 Colon 26 2
9873694 10.1016/s0960-894x(98)00579-4 Tubulin 1

Data from ChEMBL 36 via Core Engine