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Compound Detail

CHEMBL5435508

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O=C1Nc2ccc(NCc3cc(F)cc(F)c3)cc2/C1=C/c1cncs1

Basic Information

ChEMBL ID CHEMBL5435508
Phase Preclinical
Structure Type MOL
InChI Key UJGGDVHNEWJRNL-IDUWFGFVSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
4.53
ALogP
4
HBA
2
HBD
54.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13F2N3OS
MW 369.40
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.44

Activity Summary

IC50 2 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
IC50 8.52 7.395 3.0 2

Activity Data Samples

Top measurements by pChEMBL value

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