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Compound Detail

CHEMBL592665

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Cc1ccc(-c2ccc(/C=C3/SC(=O)NC3=O)o2)c(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL592665
Phase Preclinical
Structure Type MOL
InChI Key DGKRQVFGMGSFKL-NTUHNPAUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

364.2
MW (Da)
4.34
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.81
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 C15H10BrNO3S
MW 364.22
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.46

Activity Summary

IC50 1 meas. best 5.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
 IC50 5.2 5.2 6300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Insulin-like growth factor 1 receptor IC50 = 6300.0 nM 5.2 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