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

CHEMBL589065

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
CCOc1cc2c(cc1/C=C1\SC(=O)NC1=O)OCO2

Basic Information

ChEMBL ID CHEMBL589065
Phase Preclinical
Structure Type MOL
InChI Key BLIYNBNXBQBXPC-WCIBSUBMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

293.3
MW (Da)
2.14
ALogP
6
HBA
1
HBD
73.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11NO5S
MW 293.30
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Insulin-like growth factor 1 receptor IC50 = 10000.0 nM 5.0 Inhibition of IGF1R by ELISA 20178321

Literature References

PubMed DOI Target Context # Activities
20178321 10.1021/jm901798e Insulin-like growth factor 1 receptor 1
20178321 10.1021/jm901798e Insulin receptor 1
20178321 10.1021/jm901798e MCF7 1

Data from ChEMBL 36 via Core Engine