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Compound Detail

CHEMBL166848

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COc1cc2ncc(C=O)c(Nc3ccc(Cl)cc3Cl)c2cc1OC

Basic Information

ChEMBL ID CHEMBL166848
Phase Preclinical
Structure Type MOL
InChI Key SKRRXMAIMHHNCD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.2
MW (Da)
5.11
ALogP
5
HBA
1
HBD
60.5
PSA (Ų)
0.63
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14Cl2N2O3
MW 377.23
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 6.6 6.6 250.0 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