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Compound Detail

CHEMBL591021

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CCC(C)COc1ccccc1/C=C1/SC(=O)NC1=O

Basic Information

ChEMBL ID CHEMBL591021
Phase Preclinical
Structure Type MOL
InChI Key VYLNOZVFZJQGNB-MDWZMJQESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
3.44
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17NO3S
MW 291.37
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 5.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 5.05 5.05 9000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Insulin-like growth factor 1 receptor IC50 = 9000.0 nM 5.05 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