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Compound Detail

CHEMBL395359

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Cc1ccc(O)cc1Nc1ccnc2ccc(S(=O)(=O)NCC3CC3)cc12

Basic Information

ChEMBL ID CHEMBL395359
Phase Preclinical
Structure Type MOL
InChI Key FNXPJCFHZYAHIZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
3.68
ALogP
5
HBA
3
HBD
91.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N3O3S
MW 383.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.20

Activity Summary

IC50 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
IC50 7.05 7.05 90.0 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 = 90.0 nM 7.05 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