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Compound Detail

CHEMBL3662268

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Cn1ccc(COc2ccc3nc(C4CCCC[C@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3662268
Phase Preclinical
Structure Type MOL
InChI Key RISBHTOVLROQFG-FOIFJWKZSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

523.4
MW (Da)
5.52
ALogP
6
HBA
1
HBD
82.2
PSA (Ų)
0.35
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27BrN4O3
MW 523.43
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.05

Activity Summary

Ki 6 meas. best 8.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arachidonate 5-lipoxygenase-activating protein
CHEMBL4550
 Ki 8.41 8.185 3.9 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Arachidonate 5-lipoxygenase-activating protein Ki = 3.9 nM 8.41 Homogeneous Time Resolved Fluorescence Assay: FLAP-containing membranes were pre... -
Arachidonate 5-lipoxygenase-activating protein Ki = 3.9 nM 8.41 Binding Assay: The assay below is used to test the modulatory activity of compou... -
Arachidonate 5-lipoxygenase-activating protein Ki = 3.9 nM 8.41 FLAP Binding Assay: The assay below is used to test the modulatory activity of c... -
Arachidonate 5-lipoxygenase-activating protein Ki = 11.0 nM 7.96 Homogeneous Time Resolved Fluorescence Assay: FLAP-containing membranes were pre... -
Arachidonate 5-lipoxygenase-activating protein Ki = 11.0 nM 7.96 Binding Assay: The assay below is used to test the modulatory activity of compou... -
Arachidonate 5-lipoxygenase-activating protein Ki = 11.0 nM 7.96 FLAP Binding Assay: The assay below is used to test the modulatory activity of c... -

Data from ChEMBL 36 via Core Engine