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Compound Detail

CHEMBL3662239

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Cc1ccc(COc2ccc3nc(C4CCCC[C@@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3662239
Phase Preclinical
Structure Type MOL
InChI Key RPNGLHUBZFJLRE-CGAIIQECSA-N
1
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

534.5
MW (Da)
6.49
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.29
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 C28H28BrN3O3
MW 534.45
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.91

Activity Summary

Ki 12 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arachidonate 5-lipoxygenase-activating protein
CHEMBL4550
 Ki 8.85 7.7208 1.4 12

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Arachidonate 5-lipoxygenase-activating protein Ki = 1.4 nM 8.85 Binding Assay: The assay below is used to test the modulatory activity of compou... -
Arachidonate 5-lipoxygenase-activating protein Ki = 2.2 nM 8.66 Binding Assay: The assay below is used to test the modulatory activity of compou... -
Arachidonate 5-lipoxygenase-activating protein Ki = 3.8 nM 8.42 Homogeneous Time Resolved Fluorescence Assay: FLAP-containing membranes were pre... -
Arachidonate 5-lipoxygenase-activating protein Ki = 3.8 nM 8.42 Binding Assay: The assay below is used to test the modulatory activity of compou... -
Arachidonate 5-lipoxygenase-activating protein Ki = 3.8 nM 8.42 FLAP Binding Assay: The assay below is used to test the modulatory activity of c... -
Arachidonate 5-lipoxygenase-activating protein Ki = 6.4 nM 8.19 Homogeneous Time Resolved Fluorescence Assay: FLAP-containing membranes were pre... -
Arachidonate 5-lipoxygenase-activating protein Ki = 6.4 nM 8.19 Binding Assay: The assay below is used to test the modulatory activity of compou... -
Arachidonate 5-lipoxygenase-activating protein Ki = 6.4 nM 8.19 FLAP Binding Assay: The assay below is used to test the modulatory activity of c... -
Arachidonate 5-lipoxygenase-activating protein Ki = 390.0 nM 6.41 Homogeneous Time Resolved Fluorescence Assay: FLAP-containing membranes were pre... -
Arachidonate 5-lipoxygenase-activating protein Ki = 390.0 nM 6.41 Binding Assay: The assay below is used to test the modulatory activity of compou... -
Arachidonate 5-lipoxygenase-activating protein Ki = 390.0 nM 6.41 FLAP Binding Assay: The assay below is used to test the modulatory activity of c... -
Arachidonate 5-lipoxygenase-activating protein Ki = 830.0 nM 6.08 Binding Assay: The assay below is used to test the modulatory activity of compou... -

Data from ChEMBL 36 via Core Engine