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Compound Detail

CHEMBL5416004

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Cc1ccc(F)cc1CNc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5416004
Phase Preclinical
Structure Type MOL
InChI Key CYEFIXIKLVTECL-ODLFYWEKSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
4.57
ALogP
2
HBA
3
HBD
56.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18FN3O
MW 347.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.30

Activity Summary

IC50 2 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
 IC50 6.96 6.58 110.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
High affinity nerve growth factor receptor IC50 = 110.0 nM 6.96 Inhibition of N-terminal GST-tagged human recombinant wild type TRKA (440 to end... 37030091
High affinity nerve growth factor receptor IC50 = 630.0 nM 6.2 Inhibition of N-terminal GST-tagged human recombinant TRKA G595R mutant (440 to ... 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