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Compound Detail

CHEMBL237344

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Oc1cccc(Nc2ccnc3cc(-c4ccccn4)ccc23)c1

Basic Information

ChEMBL ID CHEMBL237344
Phase Preclinical
Structure Type MOL
InChI Key LKEMSOXNBHSJTM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
4.75
ALogP
4
HBA
2
HBD
58.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N3O
MW 313.36
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
IC50 8.22 8.22 6.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proto-oncogene tyrosine-protein kinase receptor Ret IC50 = 6.0 nM 8.22 Inhibition of RET kinase in Sf9 cells 17884497

Literature References

PubMed DOI Target Context # Activities
17884497 10.1016/j.bmcl.2007.07.104 Proto-oncogene tyrosine-protein kinase receptor Ret 1

Data from ChEMBL 36 via Core Engine