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

CHEMBL5401510

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
O=C1Nc2ccc(Cc3cc(F)cc(F)c3)cc2/C1=C/c1ccc[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5401510
Phase Preclinical
Structure Type MOL
InChI Key CIRODFQWDXPSFR-WQRHYEAKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.3
MW (Da)
4.38
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14F2N2O
MW 336.34
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
 IC50 6.8 6.8 160.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
High affinity nerve growth factor receptor IC50 = 160.0 nM 6.8 Inhibition of N-terminal GST-tagged human recombinant wild type TRKA (440 to end... 37030091

Literature References

PubMed DOI Target Context # Activities
37030091 10.1016/j.ejmech.2023.115291 High affinity nerve growth factor receptor 2

Data from ChEMBL 36 via Core Engine