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Compound Detail

CHEMBL6049913

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C[C@@H]1CNC(=O)c2cnn3ccc(nc23)N2CCC[C@@H]2c2cc(F)cn(c2=O)C1

Basic Information

ChEMBL ID CHEMBL6049913
Phase Preclinical
Structure Type MOL
InChI Key ZQTNTFAUQJEQHU-MLGOLLRUSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
1.75
ALogP
7
HBA
1
HBD
84.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21FN6O2
MW 396.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.87

Activity Summary

IC50 3 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
High affinity nerve growth factor receptor
CHEMBL2815
IC50 7.26 7.26 55.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine