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Compound Detail

CHEMBL3666999

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Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCC(F)CC5)cc4F)c3c2)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3666999
Phase Preclinical
Structure Type MOL
InChI Key ZJPOBXLTMTXTGS-FTJBHMTQSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

592.7
MW (Da)
6.94
ALogP
6
HBA
1
HBD
80.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H35F3N4O3
MW 592.66
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -1.04

Activity Summary

Ki 6 meas. best 9.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arachidonate 5-lipoxygenase-activating protein
CHEMBL4550
 Ki 9.09 8.125 0.8 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Arachidonate 5-lipoxygenase-activating protein Ki = 0.82 nM 9.09 Homogeneous Time Resolved Fluorescence Assay: FLAP-containing membranes were pre... -
Arachidonate 5-lipoxygenase-activating protein Ki = 0.82 nM 9.09 Binding Assay: The assay below is used to test the modulatory activity of compou... -
Arachidonate 5-lipoxygenase-activating protein Ki = 0.82 nM 9.09 FLAP Binding Assay: The assay below is used to test the modulatory activity of c... -
Arachidonate 5-lipoxygenase-activating protein Ki = 70.0 nM 7.16 Homogeneous Time Resolved Fluorescence Assay: FLAP-containing membranes were pre... -
Arachidonate 5-lipoxygenase-activating protein Ki = 70.0 nM 7.16 Binding Assay: The assay below is used to test the modulatory activity of compou... -
Arachidonate 5-lipoxygenase-activating protein Ki = 70.0 nM 7.16 FLAP Binding Assay: The assay below is used to test the modulatory activity of c... -

Data from ChEMBL 36 via Core Engine