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Compound Detail

CHEMBL3659290

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Nc1cnc(-c2ccc(C3CCC3)c(Oc3nccnc3N)c2F)cn1

Basic Information

ChEMBL ID CHEMBL3659290
Phase Preclinical
Structure Type MOL
InChI Key APZFPGVWCVGFRP-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
3.30
ALogP
7
HBA
2
HBD
112.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17FN6O
MW 352.37
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.23

Activity Summary

Ki 3 meas. best 8.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arachidonate 5-lipoxygenase-activating protein
CHEMBL4550
Ki 8.42 8.42 3.8 1
Flap endonuclease 1
CHEMBL5027
Ki 8.42 8.42 3.8 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine