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Compound Detail

CHEMBL5936099

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O=C(Nc1ccnc(C(F)(F)F)c1)c1n[nH]c2ccc(-c3cccnc3)cc12

Basic Information

ChEMBL ID CHEMBL5936099
Phase Preclinical
Structure Type MOL
InChI Key SLDVLHLDCYVDTB-UHFFFAOYSA-N
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

383.3
MW (Da)
4.29
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12F3N5O
MW 383.33
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.73

Activity Summary

IC50 2 meas. best 7.52
EC50 1 meas. best 7.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene Wnt-1
CHEMBL1255129
IC50 7.52 7.52 30.0 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
EC50 7.42 7.42 38.0 1
Unchecked
CHEMBL612545
IC50 6.72 6.72 192.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine