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Compound Detail

CHEMBL3704289

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CC(C)c1nccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1

Basic Information

ChEMBL ID CHEMBL3704289
Phase Preclinical
Structure Type MOL
InChI Key JWFRFJWVMZRXPV-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
4.84
ALogP
6
HBA
1
HBD
86.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22FN5O
MW 379.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.45

Activity Summary

Ki 3 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arachidonate 5-lipoxygenase-activating protein
CHEMBL4550
Ki 8.89 8.89 1.3 1
Flap endonuclease 1
CHEMBL5027
Ki 8.89 8.89 1.3 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine