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Compound Detail

CHEMBL5436311

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O=C1Nc2ccc(OCc3cc(F)cc(F)c3)cc2/C1=C/c1ccc[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5436311
Phase Preclinical
Structure Type MOL
InChI Key ZDMGHXFENBXZKE-NVMNQCDNSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.3
MW (Da)
4.36
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14F2N2O2
MW 352.34
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.85

Activity Summary

IC50 2 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
 IC50 7.57 6.88 27.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
High affinity nerve growth factor receptor IC50 = 27.0 nM 7.57 Inhibition of N-terminal GST-tagged human recombinant wild type TRKA (440 to end... 37030091
High affinity nerve growth factor receptor IC50 = 650.0 nM 6.19 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