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Compound Detail

CHEMBL194674

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CN1CCN(Cc2ccc(-c3cc4ncc(C#N)c(Nc5ccc(Cl)cc5Cl)c4s3)nc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL194674
Phase Preclinical
Structure Type MOL
InChI Key SLKOIIGXDPIYBW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

509.5
MW (Da)
6.03
ALogP
7
HBA
1
HBD
68.1
PSA (Ų)
0.35
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22Cl2N6S
MW 509.47
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.87

Activity Summary

IC50 1 meas. best 7.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 IC50 7.33 7.33 47.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proto-oncogene tyrosine-protein kinase Src IC50 = 47.0 nM 7.33 Inhibitory activity against non-receptor tyrosine kinase Src in enzyme assay 16125383

Literature References

PubMed DOI Target Context # Activities
16125383 10.1016/j.bmcl.2005.07.061 Proto-oncogene tyrosine-protein kinase Src 2

Data from ChEMBL 36 via Core Engine