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Compound Detail

CHEMBL5593663

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COc1ccc(F)cc1CNc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1

Basic Information

ChEMBL ID CHEMBL5593663
Phase Preclinical
Structure Type MOL
InChI Key CFIRUVFMIWEUPK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
5.13
ALogP
3
HBA
2
HBD
49.9
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17F2N3O
MW 365.38
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.49

Activity Summary

IC50 1 meas. best 5.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
IC50 5.87 5.87 1350.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
39033612 10.1016/j.ejmech.2024.116640 High affinity nerve growth factor receptor 1

Data from ChEMBL 36 via Core Engine