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Compound Detail

CHEMBL5207826

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Cc1ccc2nc(NCc3ccc(F)cc3F)nc(Nc3cc(C4CC4)[nH]n3)c2c1

Basic Information

ChEMBL ID CHEMBL5207826
Phase Preclinical
Structure Type MOL
InChI Key JCGIANUYCKTCGE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
5.17
ALogP
5
HBA
3
HBD
78.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20F2N6
MW 406.44
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.70

Activity Summary

IC50 1 meas. best 7.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
IC50 7.24 7.24 57.0 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