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Compound Detail

CHEMBL4796985

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O=C(Nc1cc(F)cc(F)c1)c1ccc2[nH]nc(/C=C/c3ccccn3)c2c1

Basic Information

ChEMBL ID CHEMBL4796985
Phase Preclinical
Structure Type MOL
InChI Key BLIZGFRNWCLCQF-FNORWQNLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
4.66
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14F2N4O
MW 376.37
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.73

Activity Summary

IC50 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NT-3 growth factor receptor
CHEMBL5608
IC50 6.22 6.22 597.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32702585 10.1016/j.ejmech.2020.112552 High affinity nerve growth factor receptor 1
32702585 10.1016/j.ejmech.2020.112552 BDNF/NT-3 growth factors receptor 1
32702585 10.1016/j.ejmech.2020.112552 NT-3 growth factor receptor 1

Data from ChEMBL 36 via Core Engine