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Compound Detail

CHEMBL5593391

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COc1ccc(F)cc1CNc1ccc2[nH]nc(C(=O)NCC(F)F)c2c1

Basic Information

ChEMBL ID CHEMBL5593391
Phase Preclinical
Structure Type MOL
InChI Key PFNRDURENFGDQY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
3.32
ALogP
4
HBA
3
HBD
79.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17F3N4O2
MW 378.35
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.85

Activity Summary

IC50 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
IC50 5.07 5.07 8590.0 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