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Compound Detail

CHEMBL354751

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COc1cc2ncc(C#N)c(Sc3ccc(Cl)cc3Cl)c2cc1OC

Basic Information

ChEMBL ID CHEMBL354751
Phase Preclinical
Structure Type MOL
InChI Key XWUDUEJJWZLAQA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.3
MW (Da)
5.58
ALogP
5
HBA
0
HBD
55.1
PSA (Ų)
0.58
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12Cl2N2O2S
MW 391.28
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.23

Activity Summary

IC50 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
IC50 5.66 5.66 2200.0 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