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

CHEMBL3813953

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
N/N=C/c1c(N)ncnc1Oc1ccc(NC(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3813953
Phase Preclinical
Structure Type MOL
InChI Key WXLBOXDLIHXGPJ-VYVUJPJFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

467.4
MW (Da)
2.78
ALogP
8
HBA
4
HBD
157.6
PSA (Ų)
0.18
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19F2N7O3
MW 467.44
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.12 6.12 765.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 765.0 nM 6.12 Antiproliferative activity against mouse BA/F3 cells expressing TPR-Met after 72... 27068889

Literature References

PubMed DOI Target Context # Activities
27068889 10.1016/j.bmc.2016.03.061 NON-PROTEIN TARGET 1
27068889 10.1016/j.bmc.2016.03.061 No relevant target 1

Data from ChEMBL 36 via Core Engine