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Compound Detail

CHEMBL5866539

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C[C@@H]1CNC(=O)c2cnn3ccc(nc23)N[C@H](C)c2cc(F)ccc2O1

Basic Information

ChEMBL ID CHEMBL5866539
Phase Preclinical
Structure Type MOL
InChI Key FIKPXCOQUIZNHB-GHMZBOCLSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
2.55
ALogP
6
HBA
2
HBD
80.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18FN5O2
MW 355.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.53

Activity Summary

Kd 4 meas. best 9.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK2
CHEMBL2971
Kd 9.92 9.92 0.1 2
ALK tyrosine kinase receptor
CHEMBL4247
Kd 8.09 8.09 8.2 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine