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Compound Detail

CHEMBL5770610

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O=C(NC1CCN(CC(F)F)CC1)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12

Basic Information

ChEMBL ID CHEMBL5770610
Phase Preclinical
Structure Type MOL
InChI Key IKGVSCAZMYAVHV-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
3.97
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20F4N4O
MW 420.41
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.83

Activity Summary

EC50 1 meas. best 6.87
IC50 1 meas. best 6.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
EC50 6.87 6.87 134.0 1
Proto-oncogene Wnt-1
CHEMBL1255129
IC50 6.79 6.79 163.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine