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Compound Detail

CHEMBL137422

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CNC(=O)c1c([Se][Se]c2c(C(=O)NC)c3ccccc3n2C)n(C)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL137422
Phase Preclinical
Structure Type MOL
InChI Key KKTAXCWCKSLCHF-UHFFFAOYSA-N
4
Targets
9
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

532.4
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O2Se2
MW 532.36

Activity Summary

IC50 5 meas. best 6.4
Ki 4 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.4 6.4 400.0 2
Unchecked
CHEMBL612545
 Ki 6.22 6.16 600.0 2
Epidermal growth factor receptor
CHEMBL203
 Ki 5.51 5.46 3100.0 2
Platelet-derived growth factor receptor beta
CHEMBL2749
 IC50 5.33 5.33 4700.0 1
NIH3T3
CHEMBL614822
 IC50 5.26 5.26 5500.0 1
Epidermal growth factor receptor
CHEMBL203
 IC50 5.21 5.21 6100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 400.0 nM 6.4 Inhibition of Src tyrosine kinase 9046331
Unchecked IC50 = 400.0 nM 6.4 Inhibition of v-src (unknown origin) 34864496
Unchecked Ki = 600.0 nM 6.22 Inhibition of Src tyrosine kinase using peptide substrate 9046331
Unchecked Ki = 800.0 nM 6.1 Inhibition of Src tyrosine kinase using ATP substrate 9046331
Epidermal growth factor receptor Ki = 3100.0 nM 5.51 Inhibition of epidermal growth factor receptor (EGFr) using ATP substrate 9046331
Epidermal growth factor receptor Ki = 3900.0 nM 5.41 Inhibition of epidermal growth factor receptor (EGFr) using peptide substrate 9046331
Platelet-derived growth factor receptor beta IC50 = 4700.0 nM 5.33 Inhibition of Platelet-derived growth factor receptor beta (PDGFr) 9046331
NIH3T3 IC50 = 5500.0 nM 5.26 Inhibition of mouse Swiss 3T3 fibroblasts proliferation 9046331
Epidermal growth factor receptor IC50 = 6100.0 nM 5.21 Inhibition of epidermal growth factor receptor (EGFr) 9046331

Literature References

PubMed DOI Target Context # Activities
9046331 10.1021/jm960689b Epidermal growth factor receptor 3
9046331 10.1021/jm960689b Unchecked 3
9046331 10.1021/jm960689b Platelet-derived growth factor receptor beta 1
9046331 10.1021/jm960689b NIH3T3 1
34864496 10.1016/j.bmc.2021.116534 Unchecked 1

Data from ChEMBL 36 via Core Engine