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

CHEMBL592666

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
O=C1NC(=O)/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)S1

Basic Information

ChEMBL ID CHEMBL592666
Phase Preclinical
Structure Type MOL
InChI Key GPQDMFPUIYMMHB-WUXMJOGZSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

323.7
MW (Da)
4.06
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H7ClFNO3S
MW 323.73
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.89

Activity Summary

IC50 2 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 6.55 6.55 280.0 1
MCF7
CHEMBL387
IC50 4.77 4.77 16900.0 1

Activity Data Samples

Top measurements by pChEMBL value

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