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Compound Detail

CHEMBL166611

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CCCCOc1cc2ncc(C#N)c(Nc3ccc(Cl)cc3Cl)c2cc1OCCCC

Basic Information

ChEMBL ID CHEMBL166611
Phase Preclinical
Structure Type MOL
InChI Key ULXKBWTVVRXWRA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

458.4
MW (Da)
7.51
ALogP
5
HBA
1
HBD
67.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25Cl2N3O2
MW 458.39
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 6.8 6.8 160.0 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 1

Data from ChEMBL 36 via Core Engine