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Compound Detail

CHEMBL349065

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COc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3Cl)c2cc1OCCCN1CCOCC1

Basic Information

ChEMBL ID CHEMBL349065
Phase Preclinical
Structure Type MOL
InChI Key BBJIQUPJSOZDPW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

487.4
MW (Da)
5.27
ALogP
7
HBA
1
HBD
79.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24Cl2N4O3
MW 487.39
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.66

Activity Summary

IC50 1 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 6.66 6.66 220.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11262092 10.1021/jm000420z Proto-oncogene tyrosine-protein kinase Src 2
11262092 10.1021/jm000420z Tyrosine-protein kinase Fyn 1

Data from ChEMBL 36 via Core Engine