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Compound Detail

CHEMBL5591824

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COc1ccc(F)cc1CNc1ccc2[nH]nc(-n3cc(F)cn3)c2c1

Basic Information

ChEMBL ID CHEMBL5591824
Phase Preclinical
Structure Type MOL
InChI Key UASFFCSYYMYMJG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
3.65
ALogP
5
HBA
2
HBD
67.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15F2N5O
MW 355.35
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.75

Activity Summary

IC50 1 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
IC50 6.46 6.46 350.0 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