Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3667005

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCC(CC)(Cc1nc2ccc(OCc3ncc(C)cc3F)cc2n1Cc1ccc(N2CCC(C)CC2)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3667005
Phase Preclinical
Structure Type MOL
InChI Key JCDOBRTUVRFQGV-UHFFFAOYSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

572.7
MW (Da)
7.18
ALogP
6
HBA
1
HBD
80.5
PSA (Ų)
0.21
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H41FN4O3
MW 572.73
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.22

Activity Summary

Ki 6 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arachidonate 5-lipoxygenase-activating protein
CHEMBL4550
 Ki 8.52 8.24 3.0 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Arachidonate 5-lipoxygenase-activating protein Ki = 3.0 nM 8.52 Homogeneous Time Resolved Fluorescence Assay: FLAP-containing membranes were pre... -
Arachidonate 5-lipoxygenase-activating protein Ki = 3.0 nM 8.52 Binding Assay: The assay below is used to test the modulatory activity of compou... -
Arachidonate 5-lipoxygenase-activating protein Ki = 3.0 nM 8.52 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