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Compound Detail

CHEMBL590521

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CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1OCC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL590521
Phase Preclinical
Structure Type MOL
InChI Key OODOBMOYVFYPLQ-ZSOIEALJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
3.44
ALogP
5
HBA
1
HBD
64.6
PSA (Ų)
0.81
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 C16H19NO4S
MW 321.40
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.09

Activity Summary

IC50 1 meas. best 4.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
 IC50 4.19 4.19 63900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Insulin-like growth factor 1 receptor IC50 = 63900.0 nM 4.19 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