Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5266571

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN(C)CCN(C)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)N(C)C)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5266571
Phase Preclinical
Structure Type MOL
InChI Key FOYQMPYJYNBRNY-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

504.1
MW (Da)
3.87
ALogP
8
HBA
2
HBD
93.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30ClN7O2S
MW 504.06
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.82

Activity Summary

IC50 2 meas. best 7.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NCI-H1975
CHEMBL614348
 IC50 7.21 7.21 61.0 1
NCI-H2228
CHEMBL1075536
 IC50 6.97 6.97 108.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NCI-H1975 IC50 = 61.0 nM 7.21 Antiproliferative activity against human NCI-H1975 cells expressing EGFR T790M/ ... 37087886
NCI-H2228 IC50 = 108.0 nM 6.97 Antiproliferative activity against human NCI-H2228 cells expressing ALK assessed... 37087886

Literature References

PubMed DOI Target Context # Activities
37087886 10.1016/j.bmc.2023.117241 NCI-H1975 1
37087886 10.1016/j.bmc.2023.117241 NCI-H2228 1

Data from ChEMBL 36 via Core Engine