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Compound Detail

CHEMBL5593077

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CNC(=O)c1n[nH]c2ccc(NCc3cc(F)ccc3OC3CCOC3)cc12

Basic Information

ChEMBL ID CHEMBL5593077
Phase Preclinical
Structure Type MOL
InChI Key FYWSMVBXAAYYKN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
2.84
ALogP
5
HBA
3
HBD
88.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21FN4O3
MW 384.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
IC50 6.68 6.68 210.0 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