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Compound Detail

CHEMBL347282

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Nc1ccc2sc3c(Nc4cccc(C(F)(F)F)c4)ncnc3c2c1

Basic Information

ChEMBL ID CHEMBL347282
Phase Preclinical
Structure Type MOL
InChI Key INSDTUVLNWKIRF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
5.19
ALogP
5
HBA
2
HBD
63.8
PSA (Ų)
0.48
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11F3N4S
MW 360.36
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.78

Activity Summary

IC50 1 meas. best 7.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
IC50 7.33 7.33 47.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10639288 10.1021/jm9903949 Epidermal growth factor receptor 1
10639288 10.1021/jm9903949 Proto-oncogene tyrosine-protein kinase Src 1
10639288 10.1021/jm9903949 Fibroblast growth factor receptor 1
10639288 10.1021/jm9903949 Insulin receptor 1
10639288 10.1021/jm9903949 Unchecked 1
10639288 10.1021/jm9903949 Protein kinase C (PKC) 1

Data from ChEMBL 36 via Core Engine