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Compound Detail

CHEMBL5202428

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Fc1ccc(CNc2nc(Nc3cc(C4CC4)[nH]n3)c3cc(F)ccc3n2)c(F)c1

Basic Information

ChEMBL ID CHEMBL5202428
Phase Preclinical
Structure Type MOL
InChI Key SWZDFEOYWLWTIZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.4
MW (Da)
5.00
ALogP
5
HBA
3
HBD
78.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17F3N6
MW 410.40
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.60

Activity Summary

IC50 1 meas. best 7.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
IC50 7.23 7.23 59.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35617855 10.1016/j.ejmech.2022.114451 High affinity nerve growth factor receptor 1

Data from ChEMBL 36 via Core Engine