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Compound Detail

CHEMBL5404415

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O=C1Nc2ccc(NC(=O)c3cc(F)cc(F)c3)cc2/C1=C/c1ccc[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5404415
Phase Preclinical
Structure Type MOL
InChI Key YVCQXEJBJJGAJK-MFOYZWKCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.3
MW (Da)
4.04
ALogP
2
HBA
3
HBD
74.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13F2N3O2
MW 365.34
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.33

Activity Summary

IC50 1 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
 IC50 6.46 6.46 350.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
High affinity nerve growth factor receptor IC50 = 350.0 nM 6.46 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