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Compound Detail

CHEMBL5765707

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CNc1cc(Nc2ccnn(-c3ccc(F)cc3)c2=O)nc2c(C(N)=O)cnn12

Basic Information

ChEMBL ID CHEMBL5765707
Phase Preclinical
Structure Type MOL
InChI Key HYVFPXADVHZDCU-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
1.30
ALogP
9
HBA
3
HBD
132.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15FN8O2
MW 394.37
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.84

Activity Summary

Kd 3 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Non-receptor tyrosine-protein kinase TYK2
CHEMBL3553
Kd 9.22 9.22 0.6 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine