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Compound Detail

CHEMBL5574486

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Fc1cc(F)cc(Cc2ccc3[nH]nc(-c4ccncc4)c3c2)c1

Basic Information

ChEMBL ID CHEMBL5574486
Phase Preclinical
Structure Type MOL
InChI Key RLJNIQLDFASOAA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
4.49
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H13F2N3
MW 321.33
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.13

Activity Summary

IC50 2 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
IC50 6.92 6.37 120.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38029466 10.1016/j.ejmech.2023.115953 High affinity nerve growth factor receptor 2

Data from ChEMBL 36 via Core Engine