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Compound Detail

CHEMBL353901

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COc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cc1

Basic Information

ChEMBL ID CHEMBL353901
Phase Preclinical
Structure Type MOL
InChI Key NOSWWYFJKOPCTB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
3.49
ALogP
8
HBA
1
HBD
78.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N4O4
MW 424.50
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.23

Activity Summary

IC50 1 meas. best 6.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 6.32 6.32 477.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proto-oncogene tyrosine-protein kinase Src IC50 = 477.0 nM 6.32 In vitro inhibitory concentration against src-tyrosine kinase 14761189

Literature References

PubMed DOI Target Context # Activities
14761189 10.1021/jm030317k Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine