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Compound Detail

CHEMBL336409

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N[C@H](Cc1c([Se][Se]c2[nH]c3ccccc3c2C[C@H](N)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL336409
Phase Preclinical
Structure Type MOL
InChI Key NHZUIHJUVWDGGV-RNPORBBMSA-N
5
Targets
16
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

742.6
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H36N6O2Se2
MW 742.64

Activity Summary

IC50 14 meas. best 6.77
Ki 2 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.77 6.22 170.0 5
Fibroblast growth factor receptor
CHEMBL2111391
 IC50 6.7 6.7 200.0 1
NIH3T3
CHEMBL614822
 IC50 6.27 6.245 540.0 2
Platelet-derived growth factor receptor beta
CHEMBL2749
 IC50 6.24 5.2267 570.0 3
Epidermal growth factor receptor
CHEMBL203
 IC50 6.05 5.7733 900.0 3
Epidermal growth factor receptor
CHEMBL203
 Ki 5.57 5.41 2700.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 170.0 nM 6.77 Inhibition of protein synthesis 9046331
Unchecked IC50 = 180.0 nM 6.75 Inhibition of DNA synthesis 9046331
Fibroblast growth factor receptor IC50 = 200.0 nM 6.7 Inhibition of fibroblast growth factor (bFGF)-mediated autophosphorylation of FG... 9046331
Unchecked IC50 = 350.0 nM 6.46 Inhibition of RNA synthesis 9046331
NIH3T3 IC50 = 540.0 nM 6.27 Inhibition of mouse Swiss 3T3 fibroblasts proliferation 9046331
Platelet-derived growth factor receptor beta IC50 = 570.0 nM 6.24 Inhibition of platelet-derived growth factor receptor (PDGFr) autophosphorylatio... 9046331
NIH3T3 IC50 = 600.0 nM 6.22 Inhibition of mouse Swiss 3T3 fibroblasts proliferation 9046331
Epidermal growth factor receptor IC50 = 900.0 nM 6.05 Inhibition of epidermal growth factor receptor (EGFr) 9046331
Epidermal growth factor receptor IC50 = 1300.0 nM 5.89 Inhibition of epidermal growth factor receptor (EGFr) 9046331
Unchecked IC50 = 2000.0 nM 5.7 Inhibition of Src tyrosine kinase 9046331
Epidermal growth factor receptor Ki = 2700.0 nM 5.57 Inhibition of epidermal growth factor receptor (EGFr) using ATP substrate 9046331
Unchecked IC50 = 3800.0 nM 5.42 Inhibition of Src tyrosine kinase 9046331
Epidermal growth factor receptor IC50 = 4200.0 nM 5.38 Inhibition of epidermal growth factor receptor (EGFr) autophosphorylation 9046331
Epidermal growth factor receptor Ki = 5600.0 nM 5.25 Inhibition of epidermal growth factor receptor (EGFr) using peptide substrate 9046331
Platelet-derived growth factor receptor beta IC50 = 14100.0 nM 4.85 Inhibition of Platelet-derived growth factor receptor beta (PDGFr) 9046331
Platelet-derived growth factor receptor beta IC50 = 25500.0 nM 4.59 Inhibition of Platelet-derived growth factor receptor beta (PDGFr) 9046331

Literature References

PubMed DOI Target Context # Activities
9046331 10.1021/jm960689b Unchecked 7
9046331 10.1021/jm960689b A-431 6
9046331 10.1021/jm960689b Epidermal growth factor receptor 5
9046331 10.1021/jm960689b Platelet-derived growth factor receptor beta 3
9046331 10.1021/jm960689b C6 3
9046331 10.1021/jm960689b NIH3T3 2
9046331 10.1021/jm960689b Fibroblast growth factor receptor 1

Data from ChEMBL 36 via Core Engine